Geometry & MOs

Info

ID:	261960
PubChem CID:	103262237
Reduced:	NSO3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	298.092912
ΔH_f, kcal/mol:	-102.39
Dipole, Da:	5.0
IP(EA), eV:	-9.13(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-[2-cyano-4-(trifluoromethyl)anilino]-2-ethylbut-2-enoic acid

Drug info:

PubChemData

Smile

CC(CCO)NCC1=C(SC2=CC=CC=C21)C(=O)O

DOS

IR

Vibrations