Geometry & MOs

Info

ID:	20613
PubChem CID:	584842
Reduced:	NSO4C19H27 (1)
Stoich.:	ABC4D19E27 (1)
Weight, g/mol:	365.16608
ΔH_f, kcal/mol:	-159.01
Dipole, Da:	5.78
IP(EA), eV:	-8.94(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantylmethyl)-3,4-dimethoxybenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)NCC23CC4CC(C2)CC(C4)C3)OC

DOS

IR

Vibrations