Geometry & MOs

Info

ID:	170576
PubChem CID:	75255724
Reduced:	SN3O4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	497.162057
ΔH_f, kcal/mol:	-93.02
Dipole, Da:	7.91
IP(EA), eV:	-8.75(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)CN2C3C=CSC3C(=O)N(C2=O)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations