Geometry & MOs

Info

ID:	134504
PubChem CID:	51708053
Reduced:	NO2H14C15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	480.204907
ΔH_f, kcal/mol:	-110.5
Dipole, Da:	0.65
IP(EA), eV:	-9.02(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S,8S,11S)-6,13-bis(3,4-dimethylphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-2,9-diene-5,7,12,14-tetrone

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=C(C=C(C=C1)N2C(=O)[C@@H]3C=C[C@@H]4C5C3[C@@H](C2=O)C=C[C@@H]5C(=O)N(C4=O)C6=CC(=C(C=C6)C)C)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=C(C=C(C=C1)N2C(=O)[C@@H]3C=C[C@@H]4C5C3[C@@H](C2=O)C=C[C@@H]5C(=O)N(C4=O)C6=CC(=C(C=C6)C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):