Geometry & MOs

Info

ID:

194715

PubChem CID:

78580618

Reduced:

S2F3N3O6H30C39 (1)

Stoich.:

A2B3C3D6E30F39 (1)

Weight, g/mol:

775.059218

ΔHf, kcal/mol:

-280.51

Dipole, Da:

4.36

IP(EA), eV:

 -8.49(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-2-[2-methoxy-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=C(C=CC(=C1)[C@@H]2C3C4CC(C3SC5=C2SC(=O)N5)C6C4C(=O)N(C6=O)C7=CC=CC=C7C(F)(F)F)OCC(=O)NC8=CC9=CC=CC=C9C=C8

DOS

IR

Vibrations