Geometry & MOs

Info

ID:	324336
PubChem CID:	126677463
Reduced:	INSC8H10 (1)
Stoich.:	ABCD8E10 (1)
Weight, g/mol:	311.170771
ΔH_f, kcal/mol:	38.09
Dipole, Da:	2.94
IP(EA), eV:	-8.5(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3E,5Z)-5-methyl-2-phenylhepta-1,3,5-trien-4-yl] N-[(Z)-but-2-en-2-yl]ethanimidothioate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)I)NSC

DOS

IR

Vibrations