Geometry & MOs

Info

ID:	73723
PubChem CID:	48420091
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	394.131091
ΔH_f, kcal/mol:	32.73
Dipole, Da:	8.44
IP(EA), eV:	-9.33(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 3-(cyclopentylsulfamoyl)-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations