Geometry & MOs

Info

ID:	175437
PubChem CID:	75905751
Reduced:	FSN3O3C22H22 (1)
Stoich.:	ABC3D3E22F22 (1)
Weight, g/mol:	343.225977
ΔH_f, kcal/mol:	-99.37
Dipole, Da:	4.23
IP(EA), eV:	-8.27(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylcarbamoylamino)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC=C(C=C1)NC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations