Geometry & MOs

Info

ID:

315015

PubChem CID:

126624181

Reduced:

SO3N4C29H42 (1)

Stoich.:

AB3C4D29E42 (1)

Weight, g/mol:

526.297762

ΔHf, kcal/mol:

-98.37

Dipole, Da:

4.99

IP(EA), eV:

 -8.43(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-5-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CCC1(CCC(CC1)N2CC(C2)OC)NC3=C(C4=C(S3)CCN(C4=O)CC5=C(N=C(C=C5C)C)OC)C

DOS

IR

Vibrations