Geometry & MOs

Info

ID:

57603

PubChem CID:

22425930

Reduced:

ClFOSN5H25C28 (1)

Stoich.:

ABCDE5F25G28 (1)

Weight, g/mol:

486.172562

ΔHf, kcal/mol:

36.16

Dipole, Da:

8.96

IP(EA), eV:

 -8.79(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 7-(4-methoxyphenyl)-5-methyl-2-(naphthalen-2-ylmethylsulfanyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CSC2=NC3=NC(=C(C(N3N2)C4=CC=C(C=C4)F)C(=O)NC5=CC=C(C=C5)Cl)C)C

DOS

IR

Vibrations