Geometry & MOs

Info

ID:

312618

PubChem CID:

126606829

Reduced:

NSO3C32H35 (1)

Stoich.:

ABC3D32E35 (1)

Weight, g/mol:

666.242054

ΔHf, kcal/mol:

-57.85

Dipole, Da:

4.7

IP(EA), eV:

 -8.41(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10R,14S)-14-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-5-[[(3R,4S,5R)-3,4-dihydroxy-5-methyloxan-2-yl]amino]-10-methyl-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-9-one

Drug info:

PubChemData

Smile

COC1=C(C=CC2=CC=CC=C21)C3(OCC(O3)C(=C)NC45CC6CC(C4)CC(C6)CS5)C7=CC=CC=C7

DOS

IR

Vibrations