Geometry & MOs

Info

ID:	174082
PubChem CID:	75721540
Reduced:	ClN2O4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	526.178998
ΔH_f, kcal/mol:	-93.78
Dipole, Da:	5.08
IP(EA), eV:	-8.93(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=C(C=C1)OC)N(C2=CC=CC=C2Cl)C(=O)C3=CC=CO3

DOS

IR

Vibrations