Geometry & MOs

Info

ID:

65353

PubChem CID:

29214780

Reduced:

OS2N5C14H23 (1)

Stoich.:

AB2C5D14E23 (1)

Weight, g/mol:

475.22264

ΔHf, kcal/mol:

-8.27

Dipole, Da:

0.52

IP(EA), eV:

 -8.66(-0.52)

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-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)CSC1=NC(=CC(=N1)C)C

DOS

IR

Vibrations