Geometry & MOs

Info

ID:	238661
PubChem CID:	92764935
Reduced:	SO3N4C20H34 (1)
Stoich.:	AB3C4D20E34 (1)
Weight, g/mol:	412.193297
ΔH_f, kcal/mol:	-128.86
Dipole, Da:	3.95
IP(EA), eV:	-8.08(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-oxo-1H-isoindol-2-yl)-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N([C@H](C)C(=O)NCCCN2CCN(CC2)C)S(=O)(=O)C)C

DOS

IR

Vibrations