Geometry & MOs

Info

ID:	237168
PubChem CID:	92717735
Reduced:	SO2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	384.123383
ΔH_f, kcal/mol:	21.1
Dipole, Da:	4.96
IP(EA), eV:	-9.03(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(1,3-benzodioxol-5-yloxy)propan-2-yl]-1-(4-fluorophenyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C=C(N=N2)C(=O)N[C@@H](C)C3=CC=CS3

DOS

IR

Vibrations