Geometry & MOs

Info

ID:	20772
PubChem CID:	585619
Reduced:	NSO4C21H31 (1)
Stoich.:	ABC4D21E31 (1)
Weight, g/mol:	393.19738
ΔH_f, kcal/mol:	-181.93
Dipole, Da:	6.32
IP(EA), eV:	-8.86(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-adamantyloxy)ethyl]-5-methoxy-2,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)S(=O)(=O)NCCOC23CC4CC(C2)CC(C4)C3)C

DOS

IR

Vibrations