Geometry & MOs

Info

ID:	135957
PubChem CID:	51959128
Reduced:	ClSN3O6H16C17 (1)
Stoich.:	ABC3D6E16F17 (1)
Weight, g/mol:	419.115107
ΔH_f, kcal/mol:	-104.56
Dipole, Da:	8.82
IP(EA), eV:	-8.52(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-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