Geometry & MOs

Info

ID:	244722
PubChem CID:	99381177
Reduced:	SO4N5C15H17 (1)
Stoich.:	AB4C5D15E17 (1)
Weight, g/mol:	435.136511
ΔH_f, kcal/mol:	-50.24
Dipole, Da:	11.64
IP(EA), eV:	-10.09(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoyl]-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)[C@H](C)NC(=O)[C@H](C)NC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations