Geometry & MOs

Info

ID:

442750

PubChem CID:

135256094

Reduced:

SO2N9H21C23 (1)

Stoich.:

AB2C9D21E23 (1)

Weight, g/mol:

509.228771

ΔHf, kcal/mol:

98.45

Dipole, Da:

7.9

IP(EA), eV:

 -9.15(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(1S)-1-[6-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridin-2-yl]ethyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)O)C2=NC=C(S2)CN3C=C(N=N3)C4=NC(=NC(=C4)C5=CC=CC(=C5)C#N)N

DOS

IR

Vibrations