Geometry & MOs

Info

ID:

194709

PubChem CID:

78579638

Reduced:

FS2N3O6H30C38 (1)

Stoich.:

AB2C3D6E30F38 (1)

Weight, g/mol:

677.085734

ΔHf, kcal/mol:

-166.38

Dipole, Da:

5.92

IP(EA), eV:

 -8.51(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-chloro-2-[(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]phenoxy]-N-(4-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[C@@H]2C3C4CC(C3SC5=C2SC(=O)N5)C6C4C(=O)N(C6=O)C7=CC=C(C=C7)F)OCC(=O)NC8=CC=CC9=CC=CC=C98

DOS

IR

Vibrations