Geometry & MOs

Info

ID:

314986

PubChem CID:

126624113

Reduced:

SO3N4C29H42 (1)

Stoich.:

AB3C4D29E42 (1)

Weight, g/mol:

533.211506

ΔHf, kcal/mol:

-105.46

Dipole, Da:

4.67

IP(EA), eV:

 -8.6(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4-chloro-2-ethoxy-6-methylpyridin-3-yl)methyl]-2-[1,4-dioxaspiro[4.5]decan-8-yl(ethyl)amino]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CCOC1CN(C1)C2CCC(CC2)N(C)C3=C(C4=C(S3)CCCN(C4=O)CC5=C(C=C(NC5=O)C)C)C

DOS

IR

Vibrations