Geometry & MOs

Info

ID:	235701
PubChem CID:	92710452
Reduced:	SO4N5C20H25 (1)
Stoich.:	AB4C5D20E25 (1)
Weight, g/mol:	407.187878
ΔH_f, kcal/mol:	-128.62
Dipole, Da:	4.76
IP(EA), eV:	-9.35(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-(3-methylbutyl)-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)NCCC4=CN=CN4

DOS

IR

Vibrations