Geometry & MOs

Info

ID:	397861
PubChem CID:	135030852
Reduced:	FNOSH16C21 (1)
Stoich.:	ABCDE16F21 (1)
Weight, g/mol:	321.08235
ΔH_f, kcal/mol:	-14.02
Dipole, Da:	3.98
IP(EA), eV:	-8.87(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-benzylsulfanyl-3-(furan-2-yl)-2H-isoindol-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S[C@@]2(C3=CC=CC=C3C(=O)N2)C4=CC=C(C=C4)F

DOS

IR

Vibrations