Geometry & MOs

Info

ID:

194706

PubChem CID:

78579454

Reduced:

N2S2F3O5H29C35 (1)

Stoich.:

A2B2C3D5E29F35 (1)

Weight, g/mol:

671.156006

ΔHf, kcal/mol:

-265.4

Dipole, Da:

4.57

IP(EA), eV:

 -8.74(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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]-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)[C@@H]3C4C5CC(C4SC6=C3SC(=O)N6)C7C5C(=O)N(C7=O)C8=CC=CC=C8C(F)(F)F)OC

DOS

IR

Vibrations