Geometry & MOs

Info

ID:	366505
PubChem CID:	127320021
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	386.198777
ΔH_f, kcal/mol:	-70.15
Dipole, Da:	9.3
IP(EA), eV:	-9.33(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)ethyl]-4-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C=CN=C2)C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4

DOS

IR

Vibrations