Geometry & MOs

Info

ID:	135305
PubChem CID:	51849291
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	533.252586
ΔH_f, kcal/mol:	-85.27
Dipole, Da:	3.2
IP(EA), eV:	-8.92(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[(1S)-1-(4-methoxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-5-nitro-N-phenylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations