Geometry & MOs

Info

ID:

57618

PubChem CID:

22426295

Reduced:

SN5O5C23H25 (1)

Stoich.:

AB5C5D23E25 (1)

Weight, g/mol:

531.149574

ΔHf, kcal/mol:

-68.81

Dipole, Da:

5.89

IP(EA), eV:

 -8.18(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(4-chlorophenyl)-N-(4-methoxyphenyl)-5-methyl-2-[(2-methylphenyl)methylsulfanyl]-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(N2C(=N1)N=C(N2)SC)C3=CC(=C(C(=C3)OC)O)OC)C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations