Geometry & MOs

Info

ID:	244499
PubChem CID:	99355757
Reduced:	FSO3N4H21C24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	429.335528
ΔH_f, kcal/mol:	-48.91
Dipole, Da:	6.2
IP(EA), eV:	-8.89(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(adamantane-1-carbonyl)-N-[[(1R,3R)-1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2C(=CC=N2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations