Geometry & MOs

Info

ID:	134942
PubChem CID:	51787224
Reduced:	ClN2O4C31H31 (1)
Stoich.:	AB2C4D31E31 (1)
Weight, g/mol:	522.19215
ΔH_f, kcal/mol:	-89.06
Dipole, Da:	6.67
IP(EA), eV:	-8.58(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[(1S)-2-(cyclohexylamino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=C(C=CC2=CC=CC=C21)OC)N(C3=CC=CC=C3Cl)C(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations