Geometry & MOs

Info

ID:	133038
PubChem CID:	51466488
Reduced:	SO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	239.071306
ΔH_f, kcal/mol:	-39.4
Dipole, Da:	4.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.269737
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N-(5-chloro-2-methoxyphenyl)-2-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC2=[NH+]C3=C(C=C(C=C3C(=C2)C)C)C)S(=O)(=O)N

DOS

IR

Vibrations