Geometry & MOs

Info

ID:	170574
PubChem CID:	75255105
Reduced:	OCl2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	482.138582
ΔH_f, kcal/mol:	18.25
Dipole, Da:	1.36
IP(EA), eV:	-8.53(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C3CC(NN3)C4=CC=CC=C4Cl

DOS

IR

Vibrations