Geometry & MOs

Info

ID:	366374
PubChem CID:	127319855
Reduced:	SO3N4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	311.138225
ΔH_f, kcal/mol:	-47.88
Dipole, Da:	6.95
IP(EA), eV:	-9.43(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-oxoethyl]-3-methylbenzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2CC2)C(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations