Geometry & MOs

Info

ID:	170834
PubChem CID:	75285207
Reduced:	ClSN3O5H18C22 (1)
Stoich.:	ABC3D5E18F22 (1)
Weight, g/mol:	470.081554
ΔH_f, kcal/mol:	-113.74
Dipole, Da:	2.73
IP(EA), eV:	-8.97(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN3C4C=CSC4C(=O)N(C3=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations