Geometry & MOs

Info

ID:	121949
PubChem CID:	50787550
Reduced:	SO3N5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	393.183461
ΔH_f, kcal/mol:	-81.25
Dipole, Da:	8.17
IP(EA), eV:	-9.33(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-propan-2-ylbenzotriazol-5-yl)sulfonyl-N-propylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3C(=O)NC(C)C)N=N1

DOS

IR

Vibrations