Geometry & MOs

Info

ID:

65366

PubChem CID:

29214798

Reduced:

OSN9C22H31 (1)

Stoich.:

ABC9D22E31 (1)

Weight, g/mol:

408.180441

ΔHf, kcal/mol:

76.7

Dipole, Da:

8.08

IP(EA), eV:

 -8.36(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCSC2=NN=C(N2N)N/N=C\C3=C(N(N=C3C)C(C)C)C)C

DOS

IR

Vibrations