Geometry & MOs

Info

ID:

65365

PubChem CID:

29214797

Reduced:

OSN2C10H13 (2)

Stoich.:

ABC2D10E13 (2)

Weight, g/mol:

469.237228

ΔHf, kcal/mol:

-16.71

Dipole, Da:

9.97

IP(EA), eV:

 -8.33(-1.34)

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-(3,4-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CS2

DOS

IR

Vibrations