Geometry & MOs

Info

ID:	170577
PubChem CID:	75256094
Reduced:	SN3O6C25H27 (1)
Stoich.:	AB3C6D25E27 (1)
Weight, g/mol:	496.154232
ΔH_f, kcal/mol:	-176.92
Dipole, Da:	0.75
IP(EA), eV:	-8.06(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3,5-dimethoxyphenyl)-2-[3-[(3-ethoxyphenyl)methyl]-2,4-dioxo-4aH-thieno[3,2-d]pyrimidin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)CN2C(=O)C3C(C=CS3)N(C2=O)CC(=O)NC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations