Geometry & MOs

Info

ID:	235641
PubChem CID:	92710274
Reduced:	SN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	417.241627
ΔH_f, kcal/mol:	-78.38
Dipole, Da:	2.92
IP(EA), eV:	-8.86(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-benzoyl-2,3-dihydroindol-2-yl]-(4-cyclohexylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](CC2=CC=CC=C21)C(=O)NCCSCC3=CC=CO3

DOS

IR

Vibrations