Geometry & MOs

Info

ID:	170828
PubChem CID:	75284852
Reduced:	ClSF2N3O3H14C20 (1)
Stoich.:	ABC2D3E3F14G20 (1)
Weight, g/mol:	487.09687
ΔH_f, kcal/mol:	-149.24
Dipole, Da:	1.84
IP(EA), eV:	-9.26(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3-chlorophenyl)-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C(=O)C3C(C=CS3)N(C2=O)CC(=O)NC4=C(C=CC(=C4)F)Cl)F

DOS

IR

Vibrations