Geometry & MOs

Info

ID:	79695
PubChem CID:	49830010
Reduced:	N3O5C21H26 (1)
Stoich.:	A3B5C21D26 (1)
Weight, g/mol:	418.111791
ΔH_f, kcal/mol:	-139.01
Dipole, Da:	8.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769227
Charge, e:	0

Chem-info

IUPAC name:

[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)C[NH+](C)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations