Geometry & MOs

Info

ID:	166106
PubChem CID:	74637926
Reduced:	SN4O7C18H18 (1)
Stoich.:	AB4C7D18E18 (1)
Weight, g/mol:	509.988553
ΔH_f, kcal/mol:	-123.19
Dipole, Da:	6.68
IP(EA), eV:	-8.87(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[1-(2,4-dichlorophenyl)-3-(3-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=C(C=C1)C=CC(=O)NNC(=O)COC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations