Geometry & MOs

Info

ID:

299579

PubChem CID:

117688022

Reduced:

O7N8C49H50 (1)

Stoich.:

A7B8C49D50 (1)

Weight, g/mol:

619.00841

ΔHf, kcal/mol:

-111.04

Dipole, Da:

3.73

IP(EA), eV:

 -8.24(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-N-[(2,4-dimethoxyphenyl)methyl]-2-fluoro-N-(1,3,4-thiadiazol-2-yl)-4-[2-(trifluoromethyl)phenyl]sulfanylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1[C@@H]2C[C@@H]2C[C@H]1C3=NC4=C(N3)C=CC5=C4C=CC(=C5)C#CC6=CC7=C(C=C6)C8=C(C=C7)NC(=N8)[C@@H]9C[C@H]1C[C@H]1N9C(=O)[C@H](C1CCOCC1)NC(=O)O)NC(=O)OC

DOS

IR

Vibrations