Geometry & MOs

Info

ID:

268023

PubChem CID:

103596713

Reduced:

S2N3F6O6H23C32 (1)

Stoich.:

A2B3C6D6E23F32 (1)

Weight, g/mol:

516.049976

ΔHf, kcal/mol:

-465.18

Dipole, Da:

9.01

IP(EA), eV:

 -8.53(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[(9S)-9-(4-chlorophenyl)-6-oxo-3,7-dithia-5-azatetracyclo[9.2.1.02,10.04,8]tetradec-4(8)-en-5-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2C3C(C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)SC5=C2SC(=O)N5CC(=O)NC6=CC=CC(=C6)C(F)(F)F)OC

DOS

IR

Vibrations