Geometry & MOs

Info

ID:	20724
PubChem CID:	585370
Reduced:	ClNSO3C18H24 (1)
Stoich.:	ABCD3E18F24 (1)
Weight, g/mol:	369.116542
ΔH_f, kcal/mol:	-128.27
Dipole, Da:	4.69
IP(EA), eV:	-9.32(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantylmethyl)-4-chloro-3-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations