Geometry & MOs

Info

ID:

311683

PubChem CID:

126596869

Reduced:

OSC25H44 (1)

Stoich.:

ABC25D44 (1)

Weight, g/mol:

610.179454

ΔHf, kcal/mol:

-108.62

Dipole, Da:

3.77

IP(EA), eV:

 -8.6(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(10R,14S)-14-[4-[5-chloro-2-(difluoromethoxy)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1=C(C(C(=O)C(=C1)CC)(C)CCCCCCCC)S

DOS

IR

Vibrations