Geometry & MOs

Info

ID:	243527
PubChem CID:	99226288
Reduced:	SN2F3O3C18H21 (1)
Stoich.:	AB2C3D3E18F21 (1)
Weight, g/mol:	482.187543
ΔH_f, kcal/mol:	-246.5
Dipole, Da:	6.01
IP(EA), eV:	-9.31(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-7-methylchromen-2-one

Drug info:

PubChemData

Smile

CC1=CSC(=N1)[C@](CC(=O)N(CCOC)CC2=CC=CC=C2)(C(F)(F)F)O

DOS

IR

Vibrations