Geometry & MOs

Info

ID:	62110
PubChem CID:	26717606
Reduced:	SCl2N3O4C22H25 (1)
Stoich.:	AB2C3D4E22F25 (1)
Weight, g/mol:	426.057169
ΔH_f, kcal/mol:	-141.74
Dipole, Da:	9.38
IP(EA), eV:	-9.48(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations