Geometry & MOs

Info

ID:

65340

PubChem CID:

29214723

Reduced:

ClSO2N3C17H26 (1)

Stoich.:

ABC2D3E17F26 (1)

Weight, g/mol:

499.211407

ΔHf, kcal/mol:

-74.5

Dipole, Da:

7.29

IP(EA), eV:

 -8.66(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-amino-5-[(2Z)-2-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)CCCOC1=CC(=C(C=C1)Cl)C

DOS

IR

Vibrations