Geometry & MOs

Info

ID:	85855
PubChem CID:	49879762
Reduced:	ClFN3O3H13C18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	544.018197
ΔH_f, kcal/mol:	-133.19
Dipole, Da:	8.29
IP(EA), eV:	-9.38(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[3,5-dichloro-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-5-(phenylsulfanylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations