Geometry & MOs

Info

ID:

307033

PubChem CID:

125264705

Reduced:

O4C15H24 (2)

Stoich.:

A4B15C24 (2)

Weight, g/mol:

475.089658

ΔHf, kcal/mol:

-370.23

Dipole, Da:

4.88

IP(EA), eV:

 -9.58(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-[(2,6-dioxo-5H-pyrimidin-4-yl)methyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-4-methyl-2,5-dihydro-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@@H]([C@H](C)[C@H]1[C@H](O1)C[C@H](C)/C=C/C=C(\C)/[C@H]2[C@H](/C=C\[C@@H]([C@@](CC[C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O

DOS

IR

Vibrations