Geometry & MOs

Info

ID:	297411
PubChem CID:	117617000
Reduced:	NC5H6 (2)
Stoich.:	AB5C6 (2)
Weight, g/mol:	380.119464
ΔH_f, kcal/mol:	51.97
Dipole, Da:	3.78
IP(EA), eV:	-9.44(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2-butan-2-ylimino-3-phenyl-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)/C=C(/C)\C=N

DOS

IR

Vibrations