Geometry & MOs

Info

ID:	30772
PubChem CID:	841846
Reduced:	SN3O4H9C10 (1)
Stoich.:	AB3C4D9E10 (1)
Weight, g/mol:	223.076392
ΔH_f, kcal/mol:	-22.3
Dipole, Da:	1.48
IP(EA), eV:	-9.65(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N-[(2-chlorophenyl)methyl]-2-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CN(C=N1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations