Geometry & MOs

Info

ID:

438841

PubChem CID:

135228599

Reduced:

NO8C31H33 (1)

Stoich.:

AB8C31D33 (1)

Weight, g/mol:

511.225326

ΔHf, kcal/mol:

-265.98

Dipole, Da:

3.51

IP(EA), eV:

 -8.68(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[(E)-[(Z)-3-aminoprop-2-enylidene]amino]-1-[2-(2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methyl-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(=O)O[C@@H]1[C@@H](C([C@]2(C1(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5)C(=O)N(C)C

DOS

IR

Vibrations