Geometry & MOs

Info

ID:	366273
PubChem CID:	127319730
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-78.11
Dipole, Da:	6.3
IP(EA), eV:	-9.35(-0.35)
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)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations