Geometry & MOs

Info

ID:	186574
PubChem CID:	77447102
Reduced:	S2F3O4N6C30H31 (1)
Stoich.:	A2B3C4D6E30F31 (1)
Weight, g/mol:	451.120192
ΔH_f, kcal/mol:	-180.48
Dipole, Da:	1.59
IP(EA), eV:	-9.08(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[5-(4-methoxyphenyl)-2,3-dihydroindol-1-yl]sulfonyl]phenyl]-1,2,4-oxadiazolidin-5-one

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1CC(C(C1O)O)NC2=NC(=NC(=C2C3=NC4=C(S3)C=CN=C4C5CC5)C6CC6)NCC7=C(C=C(C=C7F)F)F

DOS

IR

Vibrations