Geometry & MOs

Info

ID:

194707

PubChem CID:

78579636

Reduced:

FS2N3O6H30C35 (1)

Stoich.:

AB2C3D6E30F35 (1)

Weight, g/mol:

610.124372

ΔHf, kcal/mol:

-192.93

Dipole, Da:

3.58

IP(EA), eV:

 -8.7(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[4-[(9S)-14-(4-fluorophenyl)-6,13,15-trioxo-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-9-yl]-2-methoxyphenoxy]acetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)[C@@H]3C4C5CC(C4SC6=C3SC(=O)N6)C7C5C(=O)N(C7=O)C8=CC=C(C=C8)F)OC

DOS

IR

Vibrations