Geometry & MOs

Info

ID:

65378

PubChem CID:

29214820

Reduced:

FNO3C24H24 (1)

Stoich.:

ABC3D24E24 (1)

Weight, g/mol:

481.237228

ΔHf, kcal/mol:

-93.05

Dipole, Da:

2.41

IP(EA), eV:

 -8.95(-0.2)

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-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

Drug info:

PubChemData

Smile

C1[C@@H](OC2=CC=CC=C2CN1CC3=CC(=CC=C3)OCCO)C4=CC=CC=C4F

DOS

IR

Vibrations