Geometry & MOs

Info

ID:

431820

PubChem CID:

135171926

Reduced:

S2F3O3N5C27H32 (1)

Stoich.:

A2B3C3D5E27F32 (1)

Weight, g/mol:

548.206897

ΔHf, kcal/mol:

-217.53

Dipole, Da:

4.7

IP(EA), eV:

 -8.74(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[(1R,4S)-4-hydroxycycloheptyl]-(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)NS(=O)(=O)C)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations