Geometry & MOs

Info

ID:

314274

PubChem CID:

126621126

Reduced:

O2S2N7C19H21 (1)

Stoich.:

A2B2C7D19E21 (1)

Weight, g/mol:

558.162014

ΔHf, kcal/mol:

34.79

Dipole, Da:

7.25

IP(EA), eV:

 -9.57(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-pyridin-3-yl-N-[5-[[(1R,3S)-3-[5-[[(2S)-2-pyridin-3-ylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]but-3-ynamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NN=C(S1)[C@@H]2CCC(C2)CC3=NN=C(S3)NC(=O)CC4=CC=CC=N4

DOS

IR

Vibrations