Geometry & MOs

Info

ID:	366271
PubChem CID:	127319728
Reduced:	ClO3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	389.115775
ΔH_f, kcal/mol:	-67.76
Dipole, Da:	6.74
IP(EA), eV:	-9.1(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carbonyl)phenyl]sulfonylpiperazin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)N2CCCC2C(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations