Geometry & MOs

Info

ID:	20686
PubChem CID:	585191
Reduced:	SN2O5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	394.156243
ΔH_f, kcal/mol:	-140.19
Dipole, Da:	1.14
IP(EA), eV:	-9.68(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-adamantyloxy)ethyl]-2-methyl-5-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCOC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations