Geometry & MOs

Info

ID:	145437
PubChem CID:	53524814
Reduced:	ClN2O3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	368.096141
ΔH_f, kcal/mol:	-122.02
Dipole, Da:	4.74
IP(EA), eV:	-8.67(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(6-methylsulfonylpyridin-3-yl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)CC3=CC4=C(C(=C3)Cl)OCCCO4

DOS

IR

Vibrations