Geometry & MOs

Info

ID:

312625

PubChem CID:

126606907

Reduced:

ClF2N4O4C33H33 (1)

Stoich.:

AB2C4D4E33F33 (1)

Weight, g/mol:

631.199775

ΔHf, kcal/mol:

-217.14

Dipole, Da:

7.39

IP(EA), eV:

 -8.84(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(14S)-14-[4-(3-chloro-6-cyano-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-17-methoxy-10-methyl-9-oxo-8,16-diazatricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-5-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H](C2=NC=CC(=C2)C3=C(C=C(C=C3)NC(=O)OC)NC1=O)N4CCC(=C(C4=O)C)C5=C(C=CC(=C5F)Cl)F

DOS

IR

Vibrations