Geometry & MOs

Info

ID:

432013

PubChem CID:

135172145

Reduced:

SO2F3N3C27H30 (1)

Stoich.:

AB2C3D3E27F30 (1)

Weight, g/mol:

585.25966

ΔHf, kcal/mol:

-189.62

Dipole, Da:

7.13

IP(EA), eV:

 -8.82(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (3R)-3-[4-[[1-(3-methoxypropanoyl)piperidin-4-yl]-(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C3=CC=CC=C3C(=O)O)NC4=NC(=CS4)C(F)(F)F

DOS

IR

Vibrations