Geometry & MOs

Info

ID:

65380

PubChem CID:

29214822

Reduced:

ON3C9H15 (2)

Stoich.:

AB3C9D15 (2)

Weight, g/mol:

481.237228

ΔHf, kcal/mol:

-52.47

Dipole, Da:

1.93

IP(EA), eV:

 -8.67(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-amino-5-[(2Z)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CN(N=N2)CCNC(=O)CCC3CCCC3

DOS

IR

Vibrations