Geometry & MOs

Info

ID:

441333

PubChem CID:

135234153

Reduced:

SO2N5C15H18 (2)

Stoich.:

AB2C5D15E18 (2)

Weight, g/mol:

595.226012

ΔHf, kcal/mol:

-12.7

Dipole, Da:

3.11

IP(EA), eV:

 -8.76(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-(dimethylamino)pyridin-2-yl]-N-[2-[(1S)-3-[5-[[2-[6-(dimethylamino)pyridin-2-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclopentyl]-3H-thiatriazol-5-yl]acetamide

Drug info:

PubChemData

Smile

C1C[C@@H](C[C@H](C1)C2=NN=C(S2)NC(=O)CC3=NC=CC(=C3)N4CC(C4)O)C5=NN=C(S5)NC(CC6=NC=CC(=C6)N7CC(C7)O)O

DOS

IR

Vibrations