Geometry & MOs

Info

ID:	417892
PubChem CID:	135103023
Reduced:	SO2N3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	337.120861
ΔH_f, kcal/mol:	-38.52
Dipole, Da:	6.29
IP(EA), eV:	-9.04(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(ethylsulfonylamino)-N-[3-(triazol-1-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CCCN1C=C(C(=N1)C)CN2CCC3=C(C2)C=C(S3)C(=O)O

DOS

IR

Vibrations