Geometry & MOs

Info

ID:	142599
PubChem CID:	53064213
Reduced:	SN4O4C19H28 (1)
Stoich.:	AB4C4D19E28 (1)
Weight, g/mol:	447.230411
ΔH_f, kcal/mol:	-141.61
Dipole, Da:	6.56
IP(EA), eV:	-9.51(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclooctyl-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C=N2)CCC(=O)NCC3CCCO3

DOS

IR

Vibrations