Geometry & MOs

Info

ID:	134661
PubChem CID:	51735829
Reduced:	ClN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	482.16085
ΔH_f, kcal/mol:	-96.98
Dipole, Da:	3.54
IP(EA), eV:	-9.36(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-(3-chlorophenyl)-4-hydroxybenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations