Geometry & MOs

Info

ID:	235718
PubChem CID:	92710499
Reduced:	S2N3O4C21H31 (1)
Stoich.:	A2B3C4D21E31 (1)
Weight, g/mol:	455.187878
ΔH_f, kcal/mol:	-168.45
Dipole, Da:	5.97
IP(EA), eV:	-8.75(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-N-[2-(2-methylphenyl)ethyl]-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCCSCCCNC(=O)[C@H]1CC2=C(N1C(=O)C)C=CC(=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations