Geometry & MOs

Info

ID:	235774
PubChem CID:	92710592
Reduced:	SN3O5C23H27 (1)
Stoich.:	AB3C5D23E27 (1)
Weight, g/mol:	498.193691
ΔH_f, kcal/mol:	-159.5
Dipole, Da:	9.29
IP(EA), eV:	-9.17(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-5-morpholin-4-ylsulfonyl-2-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCOCC3)C(=O)N(C)CC4=CC=CC=C4

DOS

IR

Vibrations