Geometry & MOs

Info

ID:	224369
PubChem CID:	85342156
Reduced:	NPO2H22C23 (1)
Stoich.:	ABC2D22E23 (1)
Weight, g/mol:	376.182064
ΔH_f, kcal/mol:	-22.09
Dipole, Da:	9.82
IP(EA), eV:	-8.29(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-1-(4-methylphenyl)sulfonyl-2,3,3a,4,7,7a-hexahydroindole-7-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C=CN=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations