Geometry & MOs

Info

ID:	135956
PubChem CID:	51959127
Reduced:	ClSN3O6H16C17 (1)
Stoich.:	ABC3D6E16F17 (1)
Weight, g/mol:	425.044834
ΔH_f, kcal/mol:	-105.14
Dipole, Da:	12.06
IP(EA), eV:	-8.57(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-nitrocyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])S(=O)(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations