Geometry & MOs

Info

ID:

194713

PubChem CID:

78580264

Reduced:

ClS2N3O6H22C29 (1)

Stoich.:

AB2C3D6E22F29 (1)

Weight, g/mol:

695.117176

ΔHf, kcal/mol:

-148.13

Dipole, Da:

0.41

IP(EA), eV:

 -8.5(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[4-[(9S)-6,13,15-trioxo-14-[2-(trifluoromethyl)phenyl]-3,7-dithia-5,14-diazapentacyclo[9.5.1.02,10.04,8.012,16]heptadec-4(8)-en-9-yl]phenoxy]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)COC2=CC=CC(=C2)[C@@H]3C4C(C(=O)N(C4=O)C5=CC=C(C=C5)Cl)SC6=C3SC(=O)N6

DOS

IR

Vibrations