Geometry & MOs

Info

ID:	36996
PubChem CID:	8016024
Reduced:	O4N5C21H28 (1)
Stoich.:	A4B5C21D28 (1)
Weight, g/mol:	404.184841
ΔH_f, kcal/mol:	-127.23
Dipole, Da:	6.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762594
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-ethyl-6-methoxy-1'-methyl-2'-oxospiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,3'-indole]-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)[O-])NC(=O)[C@H](C(C)C)NC(=O)N1CCN2C1=NC3=CC=CC=C32

DOS

IR

Vibrations