Geometry & MOs

Info

ID:	46362
PubChem CID:	10524071
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	384.093249
ΔH_f, kcal/mol:	-111.01
Dipole, Da:	4.42
IP(EA), eV:	-8.78(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzenesulfonyl)-3-phenylpyrido[4,3-b]indole

Drug info:

PubChemData

Smile

CN(C[C@@H]1CCCC2=C1C=CC=C2OC)C(=O)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

DOS

IR

Vibrations