Geometry & MOs

Info

ID:	25429
PubChem CID:	624952
Reduced:	BrOH11C16 (1)
Stoich.:	ABC11D16 (1)
Weight, g/mol:	438.197714
ΔH_f, kcal/mol:	16.32
Dipole, Da:	3.03
IP(EA), eV:	-9.14(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br

DOS

IR

Vibrations