Geometry & MOs

Info

ID:	443440
PubChem CID:	135259017
Reduced:	SO2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	974.492363
ΔH_f, kcal/mol:	25.06
Dipole, Da:	2.21
IP(EA), eV:	-8.99(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(5R,8R,9R,10R,13R,14R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole

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

C/C(=C/1\C(=O)NC2(N1C)CCC2)/C=C(\C=O)/NC3=C4C=CSC4=NC=N3

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

C/C(=C/1\C(=O)NC2(N1C)CCC2)/C=C(\C=O)/NC3=C4C=CSC4=NC=N3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):