Geometry & MOs

Info

ID:	426269
PubChem CID:	135143055
Reduced:	NS2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	813.383147
ΔH_f, kcal/mol:	-7.98
Dipole, Da:	2.97
IP(EA), eV:	-8.55(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-[4-[3-[3-[4-(cyclohexen-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,17-octaene

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=CN=C(C=C1)SSC(C)C(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=CN=C(C=C1)SSC(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):