Geometry & MOs

Info

ID:	194632
PubChem CID:	78566681
Reduced:	N2O3C24H24 (1)
Stoich.:	A2B3C24D24 (1)
Weight, g/mol:	413.143408
ΔH_f, kcal/mol:	-44.16
Dipole, Da:	4.37
IP(EA), eV:	-9.04(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)ethyl]-2-[[5-[2-(1-pyridin-2-ylethylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)COC(=O)C=CC2=C(N(N=C2C)C3=CC=CC=C3)C)C

DOS

IR

Vibrations