Geometry & MOs

Info

ID:	235724
PubChem CID:	92710507
Reduced:	SN4O4C23H34 (1)
Stoich.:	AB4C4D23E34 (1)
Weight, g/mol:	498.204925
ΔH_f, kcal/mol:	-166.45
Dipole, Da:	3.03
IP(EA), eV:	-8.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-5-piperidin-1-ylsulfonyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C(=O)[C@H]2CC3=C(N2C(=O)C)C=CC(=C3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations