Geometry & MOs

Info

ID:	173920
PubChem CID:	75699761
Reduced:	ClN2O5C26H27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	488.223056
ΔH_f, kcal/mol:	-157.25
Dipole, Da:	3.83
IP(EA), eV:	-8.62(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-3-phenylbutanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC(=C(C=C1)O)OC)N(C2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)O

DOS

IR

Vibrations