Geometry & MOs

Info

ID:	121947
PubChem CID:	50787454
Reduced:	N2O2C12H19 (2)
Stoich.:	A2B2C12D19 (2)
Weight, g/mol:	475.144489
ΔH_f, kcal/mol:	-196.44
Dipole, Da:	6.63
IP(EA), eV:	-8.92(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCC(CC2)CC(=O)NCCN3CCCCCC3

DOS

IR

Vibrations