Geometry & MOs

Info

ID:	66255
PubChem CID:	46501187
Reduced:	ClN5O5H18C19 (1)
Stoich.:	AB5C5D18E19 (1)
Weight, g/mol:	458.062254
ΔH_f, kcal/mol:	-72.97
Dipole, Da:	2.85
IP(EA), eV:	-9.17(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(3-chlorophenyl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(=O)N/N=C(\C)/CC(=O)NC2=CC=CC=C2[N+](=O)[O-])Cl

DOS

IR

Vibrations