Geometry & MOs

Info

ID:	160346
PubChem CID:	57309694
Reduced:	SO4H24C27 (1)
Stoich.:	AB4C24D27 (1)
Weight, g/mol:	399.090518
ΔH_f, kcal/mol:	-60.91
Dipole, Da:	2.35
IP(EA), eV:	-8.79(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)-2-(2-chloro-N-pyridin-4-ylanilino)ethyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC(=O)CC4=CC=CS4

DOS

IR

Vibrations