Geometry & MOs

Info

ID:	342369
PubChem CID:	127265192
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	392.076553
ΔH_f, kcal/mol:	-4.05
Dipole, Da:	6.97
IP(EA), eV:	-9.04(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[3-[2-cyano-2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethenyl]phenyl] N,N-dimethylcarbamothioate

Drug info:

PubChemData

Smile

CCC1=NOC(=C1NC(=O)N2CCCC2/C=C/C3=CC=CC=C3)C

DOS

IR

Vibrations