Geometry & MOs

Info

ID:	235695
PubChem CID:	92710438
Reduced:	SN4O4C19H28 (1)
Stoich.:	AB4C4D19E28 (1)
Weight, g/mol:	431.131506
ΔH_f, kcal/mol:	-154.49
Dipole, Da:	4.31
IP(EA), eV:	-9.16(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-(3-fluorophenyl)-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)NCCN(C)C

DOS

IR

Vibrations