Geometry & MOs

Info

ID:	61963
PubChem CID:	26716333
Reduced:	O3N4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	438.124943
ΔH_f, kcal/mol:	-37.7
Dipole, Da:	9.04
IP(EA), eV:	-8.84(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-carbamoylphenyl) 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-])N3CCCCC3

DOS

IR

Vibrations