Geometry & MOs

Info

ID:

335817

PubChem CID:

127254679

Reduced:

N3O5C25H27 (1)

Stoich.:

A3B5C25D27 (1)

Weight, g/mol:

498.139548

ΔHf, kcal/mol:

-160.14

Dipole, Da:

1.93

IP(EA), eV:

 -8.91(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5CCCCC5)OC

DOS

IR

Vibrations