Geometry & MOs

Info

ID:

431893

PubChem CID:

135172014

Reduced:

N3O6C24H37 (1)

Stoich.:

A3B6C24D37 (1)

Weight, g/mol:

541.233446

ΔHf, kcal/mol:

-197.36

Dipole, Da:

3.55

IP(EA), eV:

 -8.66(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C(=O)CCOC)C2=C(C=C(C=C2)C(C)CC(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations