Geometry & MOs

Info

ID:

329141

PubChem CID:

126731383

Reduced:

NH22C30 (2)

Stoich.:

AB22C30 (2)

Weight, g/mol:

263.052861

ΔHf, kcal/mol:

250.36

Dipole, Da:

0.11

IP(EA), eV:

 -8.07(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-2-fluorocyclopropyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N(C3=CC=CC(=C3)C4=CC=CC=C4)C5=CC=CC(=C5)C6=CC(=CC=C6)N(C7=CC=CC(=C7)C8=CC=CC=C8)C9=CC=CC(=C9)C1=CC=CC=C1

DOS

IR

Vibrations