Geometry & MOs

Info

ID:	432167
PubChem CID:	135172299
Reduced:	S2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	167.040485
ΔH_f, kcal/mol:	9.02
Dipole, Da:	2.09
IP(EA), eV:	-8.74(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-6-oxo-2,5-dihydrothiepine-5-carbonitrile

Drug info:

PubChemData

Smile

CCCC1(C=C(CS1)S)C=C

DOS

IR

Vibrations