Geometry & MOs

Info

ID:

431847

PubChem CID:

135171961

Reduced:

N4O5H28C30 (1)

Stoich.:

A4B5C28D30 (1)

Weight, g/mol:

514.222547

ΔHf, kcal/mol:

-77.17

Dipole, Da:

6.45

IP(EA), eV:

 -8.76(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C(=C2)NC(=O)OCC3=CC=CC=C3)C#CC4=CN=CN=C4)CC(=O)OC(C)(C)C

DOS

IR

Vibrations