Geometry & MOs

Info

ID:	121948
PubChem CID:	50787455
Reduced:	ClSO3N5C22H26 (1)
Stoich.:	ABC3D5E22F26 (1)
Weight, g/mol:	393.183461
ΔH_f, kcal/mol:	-54.09
Dipole, Da:	6.27
IP(EA), eV:	-9.56(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-propan-2-yl-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)NCC4=CC(=CC=C4)Cl)N=N1

DOS

IR

Vibrations