Geometry & MOs

Info

ID:	366270
PubChem CID:	127319727
Reduced:	S2O3N4C16H20 (1)
Stoich.:	A2B3C4D16E20 (1)
Weight, g/mol:	388.130218
ΔH_f, kcal/mol:	-56.79
Dipole, Da:	9.23
IP(EA), eV:	-9.51(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-chloro-2-methoxybenzoyl)pyrrolidin-2-yl]-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CC(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations