Geometry & MOs

Info

ID:	366267
PubChem CID:	127319724
Reduced:	SN4O4C17H20 (1)
Stoich.:	AB4C4D17E20 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	-75.33
Dipole, Da:	6.03
IP(EA), eV:	-9.3(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-oxopropyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCN3C=CN=C3C2)S(=O)(=O)NC4CC4

DOS

IR

Vibrations