Geometry & MOs

Info

ID:	347973
PubChem CID:	127273035
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	350.231791
ΔH_f, kcal/mol:	-118.18
Dipole, Da:	6.74
IP(EA), eV:	-8.19(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCC(C)N3CCN(CC3)C

DOS

IR

Vibrations