Geometry & MOs

Info

ID:	137734
PubChem CID:	52255121
Reduced:	ClO3N5C14H16 (1)
Stoich.:	AB3C5D14E16 (1)
Weight, g/mol:	373.101561
ΔH_f, kcal/mol:	-17.4
Dipole, Da:	11.02
IP(EA), eV:	-8.29(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1S)-1-(2-chlorophenyl)ethyl]-cyclopropylamino]-N-(3-cyanothiophen-2-yl)propanamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)/C(=N/OCC(=O)NC2=CC(=C(C=C2)OC)Cl)/N

DOS

IR

Vibrations