Geometry & MOs

Info

ID:	194671
PubChem CID:	78572625
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	347.053606
ΔH_f, kcal/mol:	47.6
Dipole, Da:	2.29
IP(EA), eV:	-8.79(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] hexa-2,4-dienoate

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C)C3=CC(=CC=C3)OC

DOS

IR

Vibrations