Geometry & MOs

Info

ID:	366310
PubChem CID:	127319775
Reduced:	S2O3N4C13H16 (1)
Stoich.:	A2B3C4D13E16 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-46.72
Dipole, Da:	4.8
IP(EA), eV:	-9.09(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)-3-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]urea

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN2C=CN=C2C1)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations