Geometry & MOs

Info

ID:	134992
PubChem CID:	51794723
Reduced:	ClN2O2C24H33 (1)
Stoich.:	AB2C2D24E33 (1)
Weight, g/mol:	424.191756
ΔH_f, kcal/mol:	-100.36
Dipole, Da:	3.75
IP(EA), eV:	-9.14(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-3-methylbut-2-enamide

Drug info:

PubChemData

Smile

CCC/C=C/[C@H](C(=O)NC1CCCCC1)N(C2=CC(=CC=C2)Cl)C(=O)C=C(C)C

DOS

IR

Vibrations