Geometry & MOs

Info

ID:

314972

PubChem CID:

126624060

Reduced:

FO3N5C31H32 (1)

Stoich.:

AB3C5D31E32 (1)

Weight, g/mol:

548.293346

ΔHf, kcal/mol:

-84.21

Dipole, Da:

5.51

IP(EA), eV:

 -8.22(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-[ethyl-[4-(3-pyrazol-1-ylazetidin-1-yl)cyclohexyl]amino]-3-methyl-6,7-dihydrothieno[3,2-c]pyridin-4-one

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)NC3=CN=CC=C3)CC(=O)N4CC(CC4C(=O)NCCCC5=CC=CC=C5)F

DOS

IR

Vibrations