Geometry & MOs

Info

ID:	54651
PubChem CID:	17389044
Reduced:	SN2O4H32C36 (1)
Stoich.:	AB2C4D32E36 (1)
Weight, g/mol:	417.09364
ΔH_f, kcal/mol:	-39.87
Dipole, Da:	4.58
IP(EA), eV:	-8.48(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenyl)-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N(C1C3=C(C=CC4=CC=CC=C43)OC)C(=O)/C(=C\C5=CC=C(C=C5)C(C)C)/S2)C6=CC=CC=C6

DOS

IR

Vibrations