Geometry & MOs

Info

ID:	366280
PubChem CID:	127319737
Reduced:	SO3N4C16H18 (1)
Stoich.:	AB3C4D16E18 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	-31.58
Dipole, Da:	7.25
IP(EA), eV:	-9.4(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone

Drug info:

PubChemData

Smile

C1CC1NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations