Geometry & MOs

Info

ID:	30775
PubChem CID:	841854
Reduced:	SCl2N3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	237.092042
ΔH_f, kcal/mol:	53.76
Dipole, Da:	4.66
IP(EA), eV:	-8.85(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N-[2-(4-chlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)NC(=S)NCC2=CC=NC=C2

DOS

IR

Vibrations