Geometry & MOs

Info

ID:	64146
PubChem CID:	29196676
Reduced:	O2S2N3C16H19 (1)
Stoich.:	A2B2C3D16E19 (1)
Weight, g/mol:	397.178376
ΔH_f, kcal/mol:	1.74
Dipole, Da:	5.39
IP(EA), eV:	-8.54(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(3-methylbutyl)acetamide

Drug info:

PubChemData

Smile

CN(C)[C@H](CNS(=O)(=O)C1=CC=CS1)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations