Geometry & MOs

Info

ID:	366331
PubChem CID:	127319796
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-66.88
Dipole, Da:	5.09
IP(EA), eV:	-9.35(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations