Geometry & MOs

Info

ID:	313211
PubChem CID:	126612602
Reduced:	O2Cl3C5H5 (1)
Stoich.:	A2B3C5D5 (1)
Weight, g/mol:	430.02539
ΔH_f, kcal/mol:	-110.86
Dipole, Da:	2.64
IP(EA), eV:	-11.24(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[(4-chloro-3-hydroxyanilino)methyl]-N-(4-chloro-3-hydroxyphenyl)-2-formylbutanamide

Drug info:

PubChemData

Smile

C(CCl)C(C(=O)Cl)C(=O)Cl

DOS

IR

Vibrations