Geometry & MOs

Info

ID:	132727
PubChem CID:	51407629
Reduced:	SN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-57.85
Dipole, Da:	5.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.847081
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N=NC2=C([C@]3(CC[C@@H]2C3(C)C)C)[O-]

DOS

IR

Vibrations