Geometry & MOs

Info

ID:	245281
PubChem CID:	99443248
Reduced:	FSN3O5C16H16 (1)
Stoich.:	ABC3D5E16F16 (1)
Weight, g/mol:	451.192963
ΔH_f, kcal/mol:	-157.51
Dipole, Da:	4.56
IP(EA), eV:	-9.75(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(2,5-dimethyl-1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NNC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)NC3CC3

DOS

IR

Vibrations