Geometry & MOs

Info

ID:

65371

PubChem CID:

29214808

Reduced:

ClO2N4H13C15 (1)

Stoich.:

AB2C4D13E15 (1)

Weight, g/mol:

438.191006

ΔHf, kcal/mol:

18.47

Dipole, Da:

4.56

IP(EA), eV:

 -9.01(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[2-[[4-amino-5-[(2Z)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-methoxyacetohydrazide

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2=NOC=C2)C3=NC4=C(N3)C=C(C=C4)Cl

DOS

IR

Vibrations