Geometry & MOs

Info

ID:

431865

PubChem CID:

135171986

Reduced:

NH23C40 (1)

Stoich.:

AB23C40 (1)

Weight, g/mol:

499.222881

ΔHf, kcal/mol:

326.16

Dipole, Da:

2.95

IP(EA), eV:

 -8.13(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=C3C6=CC=CC=C6N5C7=CC8=C9C(=C7)C=CC=C9C1=CC=CC=C18

DOS

IR

Vibrations