Geometry & MOs

Info

ID:	402115
PubChem CID:	135054449
Reduced:	OC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	386.145285
ΔH_f, kcal/mol:	-136.74
Dipole, Da:	1.85
IP(EA), eV:	-10.42(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-[(1R)-3-oxo-1-phenylhexyl]-2,3-dihydrothiochromen-4-ylidene]propanedinitrile

Drug info:

PubChemData

Smile

CC1CCC[C@@H]1COC(=O)C(C)(C)C

DOS

IR

Vibrations