Geometry & MOs

Info

ID:	245350
PubChem CID:	99443798
Reduced:	SN2O5C26H30 (1)
Stoich.:	AB2C5D26E30 (1)
Weight, g/mol:	357.12957
ΔH_f, kcal/mol:	-143.33
Dipole, Da:	7.33
IP(EA), eV:	-8.47(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N-[(1R)-1-(4-chlorophenyl)ethyl]-N-cyclopropyl-2-(4-fluorophenyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N(CC)CC3=CC=C(C=C3)OC)OC

DOS

IR

Vibrations