Geometry & MOs

Info

ID:	57658
PubChem CID:	22430782
Reduced:	O2S2N3C9H11 (1)
Stoich.:	A2B2C3D9E11 (1)
Weight, g/mol:	333.060569
ΔH_f, kcal/mol:	-63.02
Dipole, Da:	2.97
IP(EA), eV:	-8.43(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(CCS2)N=C1SCC(=O)N

DOS

IR

Vibrations