Geometry & MOs

Info

ID:	24410
PubChem CID:	609989
Reduced:	OSN2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	310.113984
ΔH_f, kcal/mol:	-5.31
Dipole, Da:	1.45
IP(EA), eV:	-8.64(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-phenylethyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

DOS

IR

Vibrations