Geometry & MOs

Info

ID:	58321
PubChem CID:	24697798
Reduced:	NO2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	343.98303
ΔH_f, kcal/mol:	-154.9
Dipole, Da:	4.49
IP(EA), eV:	-10.15(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)sulfonyl-3-isocyanatopiperidine

Drug info:

PubChemData

Smile

CC(=O)NCC(=O)NCC1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations