Geometry & MOs

Info

ID:	218688
PubChem CID:	85089809
Reduced:	SN3O5C26H29 (1)
Stoich.:	AB3C5D26E29 (1)
Weight, g/mol:	495.187958
ΔH_f, kcal/mol:	-149.2
Dipole, Da:	7.97
IP(EA), eV:	-9.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3-(4-hydroxyphenyl)-2-[4-[2-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol

Drug info:

PubChemData

Smile

CC(C1=CC=CO1)NC(=O)C2CCCC2C(=O)NCC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N

DOS

IR

Vibrations