Geometry & MOs

Info

ID:	236955
PubChem CID:	92716394
Reduced:	SN3O3C17H17 (1)
Stoich.:	AB3C3D17E17 (1)
Weight, g/mol:	352.120526
ΔH_f, kcal/mol:	-9.03
Dipole, Da:	5.53
IP(EA), eV:	-8.86(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=C(C=N2)C[S@@](=O)CCC(=O)O)N3C=CC=C3

DOS

IR

Vibrations