Geometry & MOs

Info

ID:

431617

PubChem CID:

135171705

Reduced:

F3N5O6C46H64 (1)

Stoich.:

A3B5C6D46E64 (1)

Weight, g/mol:

486.227632

ΔHf, kcal/mol:

-408.89

Dipole, Da:

7.95

IP(EA), eV:

 -8.33(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)OCCC(C)CN(C3CCOCC3)C4=C(C=C(C=C4)C(C)CC(=O)OC)N)NC5=CN=C(C=C5)C(F)(F)F

DOS

IR

Vibrations