Geometry & MOs

Info

ID:	54341
PubChem CID:	17049599
Reduced:	OSN6C19H22 (1)
Stoich.:	ABC6D19E22 (1)
Weight, g/mol:	453.034163
ΔH_f, kcal/mol:	105.13
Dipole, Da:	6.2
IP(EA), eV:	-8.43(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-amino-5-[(2E)-2-[(2-fluorophenyl)methylidene]hydrazinyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C=N/NC2=NN=C(N2N)SCC3=CC=CC=C3C

DOS

IR

Vibrations