Geometry & MOs

Info

ID:	141020
PubChem CID:	52803120
Reduced:	ClSN2O4C20H23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	466.05619
ΔH_f, kcal/mol:	-125.3
Dipole, Da:	4.74
IP(EA), eV:	-9.24(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-(3-bromophenyl)-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)[C@@H]2C[C@@H]2C3=CC(=CC=C3)Cl

DOS

IR

Vibrations