Geometry & MOs

Info

ID:	236956
PubChem CID:	92716395
Reduced:	SN4O4C15H20 (1)
Stoich.:	AB4C4D15E20 (1)
Weight, g/mol:	382.131091
ΔH_f, kcal/mol:	-105.49
Dipole, Da:	9.13
IP(EA), eV:	-10.01(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[1-(3-methoxypropyl)benzotriazol-5-yl]sulfonylpiperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC[C@@H]3C(=O)O)N=N1

DOS

IR

Vibrations