Geometry & MOs

Info

ID:	31763
PubChem CID:	3718013
Reduced:	NO4C17H21 (1)
Stoich.:	AB4C17D21 (1)
Weight, g/mol:	306.027455
ΔH_f, kcal/mol:	-145.62
Dipole, Da:	11.42
IP(EA), eV:	-8.7(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-difluoroanilino)-3-hydroxy-2-(thiophene-2-carbonyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=C(C=CC(=O)OC)C(=O)OC)C

DOS

IR

Vibrations