Geometry & MOs

Info

ID:	238576
PubChem CID:	92741970
Reduced:	SN3O5C25H31 (1)
Stoich.:	AB3C5D25E31 (1)
Weight, g/mol:	448.214427
ΔH_f, kcal/mol:	-148.07
Dipole, Da:	8.53
IP(EA), eV:	-8.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-methyl-5-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)OC)C(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)N([C@H](C3)C)C(=O)C4CC4

DOS

IR

Vibrations