Geometry & MOs

Info

ID:	73731
PubChem CID:	48420110
Reduced:	SN4O5C17H22 (1)
Stoich.:	AB4C5D17E22 (1)
Weight, g/mol:	404.095454
ΔH_f, kcal/mol:	-135.34
Dipole, Da:	4.08
IP(EA), eV:	-9.71(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations