Geometry & MOs

Info

ID:	135955
PubChem CID:	51958980
Reduced:	BrN3O3H18C20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	425.044834
ΔH_f, kcal/mol:	-37.28
Dipole, Da:	3.1
IP(EA), eV:	-9.05(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=NC=C1)NC(=O)CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br

DOS

IR

Vibrations