Geometry & MOs

Info

ID:	235714
PubChem CID:	92710478
Reduced:	SN4O4C26H34 (1)
Stoich.:	AB4C4D26E34 (1)
Weight, g/mol:	476.245727
ΔH_f, kcal/mol:	-131.23
Dipole, Da:	4.49
IP(EA), eV:	-8.9(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[3-(azepan-1-yl)propyl]-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCCCN(C)CC4=CC=CC=C4

DOS

IR

Vibrations