Geometry & MOs

Info

ID:

65354

PubChem CID:

29214781

Reduced:

SO2N11C19H29 (1)

Stoich.:

AB2C11D19E29 (1)

Weight, g/mol:

404.185527

ΔHf, kcal/mol:

78.83

Dipole, Da:

11.67

IP(EA), eV:

 -9.16(-0.82)

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-ethyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1,2,4-triazole-3,4-diamine

Drug info:

PubChemData

Smile

CCC1=NN=C(O1)CN(C)C(=O)CSC2=NN=C(N2N)N/N=C\C3=C(N(N=C3C)C(C)C)C

DOS

IR

Vibrations