Geometry & MOs

Info

ID:	235711
PubChem CID:	92710471
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	487.225326
ΔH_f, kcal/mol:	-152.57
Dipole, Da:	5.62
IP(EA), eV:	-9.35(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-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)NC

DOS

IR

Vibrations