Geometry & MOs

Info

ID:	235698
PubChem CID:	92710446
Reduced:	ClSN3O4C22H24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	-142.57
Dipole, Da:	4.68
IP(EA), eV:	-9.28(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-(2,5-dimethylphenyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)[C@H]2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations