Geometry & MOs

Info

ID:

57617

PubChem CID:

22426216

Reduced:

ClFSO2N4H22C27 (1)

Stoich.:

ABCD2E4F22G27 (1)

Weight, g/mol:

483.15764

ΔHf, kcal/mol:

-19.03

Dipole, Da:

9.72

IP(EA), eV:

 -8.78(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-5-methyl-2-methylsulfanyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C4=NC(=O)C(S4)CC(=O)NC5=CC=CC=C5Cl

DOS

IR

Vibrations