Geometry & MOs

Info

ID:

135469

PubChem CID:

51876497

Reduced:

O2S2Cl3N3H14C18 (1)

Stoich.:

A2B2C3D3E14F18 (1)

Weight, g/mol:

482.092787

ΔHf, kcal/mol:

-27.72

Dipole, Da:

4.33

IP(EA), eV:

 -9.14(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-amino-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(3S)-5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1Cl)Cl)Cl)SC2=NC3=C(C=CS3)C(=O)N2CC=C

DOS

IR

Vibrations