Geometry & MOs

Info

ID:	235687
PubChem CID:	92710419
Reduced:	SN3O5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	496.214427
ΔH_f, kcal/mol:	-182.35
Dipole, Da:	7.33
IP(EA), eV:	-9.04(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(4-benzylpiperazine-1-carbonyl)-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)N4CCOCC4

DOS

IR

Vibrations