Geometry & MOs

Info

ID:	312380
PubChem CID:	126604528
Reduced:	NSH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	268.092186
ΔH_f, kcal/mol:	54.27
Dipole, Da:	3.29
IP(EA), eV:	-7.9(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-7-(2-methylphenyl)-2,3-dihydrothiochromen-4-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C3=CC4=C(C=C31)C(=C)CCS4

DOS

IR

Vibrations