Geometry & MOs

Info

ID:	180481
PubChem CID:	76639692
Reduced:	N5F7H14C24 (1)
Stoich.:	A5B7C14D24 (1)
Weight, g/mol:	480.112185
ΔH_f, kcal/mol:	-146.53
Dipole, Da:	14.84
IP(EA), eV:	-7.38(-2.77)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

19,21-difluoro-20-isocyano-12,12-dimethyl-4-(trifluoromethyl)-5,6,22-triaza-24,25-diazoniaheptacyclo[11.10.1.11,7.02,6.017,24.018,23.011,25]pentacosa-2,4,7,9,11(25),13,15,17(24),18,20,22-undecaene

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(C2=[N+]3C(=CC=C2)N4C(=CC(=N4)C(F)(F)F)C35C6=CN=C(C(=C6C7=[N+]5C1=CC=C7)F)C(F)(F)F)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(C2=[N+]3C(=CC=C2)N4C(=CC(=N4)C(F)(F)F)C35C6=CN=C(C(=C6C7=[N+]5C1=CC=C7)F)C(F)(F)F)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):