Geometry & MOs

Info

ID:	141078
PubChem CID:	52814215
Reduced:	N2S2O4C21H28 (1)
Stoich.:	A2B2C4D21E28 (1)
Weight, g/mol:	461.04088
ΔH_f, kcal/mol:	-177.62
Dipole, Da:	2.34
IP(EA), eV:	-8.37(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-(4-bromophenyl)-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)SC1=NC2=C(C3=C(S2)C[C@H](CC3)C)C(=O)N1C[C@@H]4CCCO4

DOS

IR

Vibrations