Geometry & MOs

Info

ID:	134940
PubChem CID:	51786697
Reduced:	Cl2N2O2C27H28 (1)
Stoich.:	A2B2C2D27E28 (1)
Weight, g/mol:	526.142613
ΔH_f, kcal/mol:	-53.13
Dipole, Da:	3.13
IP(EA), eV:	-9.51(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(2-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H]([C@H](C)C1=CC=CC=C1)N(C2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations