Geometry & MOs

Info

ID:

176143

PubChem CID:

76000596

Reduced:

N2O6C33H38 (1)

Stoich.:

A2B6C33D38 (1)

Weight, g/mol:

482.181019

ΔHf, kcal/mol:

-104.63

Dipole, Da:

7.55

IP(EA), eV:

 -8.41(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[7-(3-methylphenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[3,2-d]pyrimidin-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C12CCCC=C1N(C(=O)C(C2)CC(=O)N3CCC(CC3)C4=CC=CC=C4)CC5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations