Geometry & MOs

Info

ID:	135303
PubChem CID:	51848488
Reduced:	NO2C13H14 (2)
Stoich.:	AB2C13D14 (2)
Weight, g/mol:	464.194737
ΔH_f, kcal/mol:	-116.04
Dipole, Da:	3.92
IP(EA), eV:	-8.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-4-methoxy-N-phenylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)O)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations