Geometry & MOs

Info

ID:	127969
PubChem CID:	51025127
Reduced:	OBr2C24H34 (1)
Stoich.:	AB2C24D34 (1)
Weight, g/mol:	378.197714
ΔH_f, kcal/mol:	-33.96
Dipole, Da:	2.41
IP(EA), eV:	-9.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide

Drug info:

PubChemData

Smile

CCCCCCC[C@]12C=C[C@@](O1)(C3=CC(=C(C=C23)Br)Br)CCCCCCC

DOS

IR

Vibrations