Geometry & MOs

Info

ID:	143015
PubChem CID:	53132708
Reduced:	SN3O4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	477.03579
ΔH_f, kcal/mol:	-75.57
Dipole, Da:	2.84
IP(EA), eV:	-8.66(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromophenyl)methyl]-3-(piperidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC3=C(C=C2)ON=C3C(=O)N4CCCCC4

DOS

IR

Vibrations