Geometry & MOs

Info

ID:

65372

PubChem CID:

29214809

Reduced:

SO3N10C16H26 (1)

Stoich.:

AB3C10D16E26 (1)

Weight, g/mol:

525.188227

ΔHf, kcal/mol:

15.81

Dipole, Da:

8.94

IP(EA), eV:

 -8.94(-0.59)

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-[4-(trifluoromethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCC(=O)NNC(=O)COC

DOS

IR

Vibrations