Geometry & MOs

Info

ID:

65389

PubChem CID:

29214843

Reduced:

SO3N4C19H30 (1)

Stoich.:

AB3C4D19E30 (1)

Weight, g/mol:

470.176105

ΔHf, kcal/mol:

-105.74

Dipole, Da:

7.84

IP(EA), eV:

 -8.24(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-[(Z)-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methylideneamino]-5-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,2,4-triazole-3,4-diamine

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)[C@H](C(C)C)NC(=O)C1=CC=C(C=C1)OC

DOS

IR

Vibrations