Geometry & MOs

Info

ID:

65404

PubChem CID:

29214864

Reduced:

SN4O4C20H32 (1)

Stoich.:

AB4C4D20E32 (1)

Weight, g/mol:

509.193312

ΔHf, kcal/mol:

-144.91

Dipole, Da:

6.53

IP(EA), eV:

 -8.34(-0.61)

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-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)[C@H](C(C)C)NC(=O)C1=CC(=CC(=C1)OC)OC

DOS

IR

Vibrations