Geometry & MOs

Info

ID:	235738
PubChem CID:	92710528
Reduced:	SN3O4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	455.187878
ΔH_f, kcal/mol:	-147.43
Dipole, Da:	3.95
IP(EA), eV:	-9.27(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-N-(2,6-dimethylphenyl)-5-piperidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)[C@H]2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCC4)C

DOS

IR

Vibrations