Geometry & MOs

Info

ID:

329304

PubChem CID:

126734432

Reduced:

N7H43C66 (1)

Stoich.:

A7B43C66 (1)

Weight, g/mol:

330.091725

ΔHf, kcal/mol:

381.03

Dipole, Da:

4.3

IP(EA), eV:

 -7.66(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]-N-ethyl-N-methylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)N(C5=C4C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)C9=CC=C(C=C9)C1=CC(=NC(=N1)C1=CC=CC=C1C#N)C1=CC=CC=C1C#N

DOS

IR

Vibrations