Geometry & MOs

Info

ID:	13919
PubChem CID:	400025
Reduced:	SN2O3H14C19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	350.072513
ΔH_f, kcal/mol:	-55.51
Dipole, Da:	6.61
IP(EA), eV:	-8.61(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)C4=CC5=CC=CC=C5OC4=O

DOS

IR

Vibrations