Geometry & MOs

Info

ID:	436904
PubChem CID:	135212787
Reduced:	SN2O4C30H36 (1)
Stoich.:	AB2C4D30E36 (1)
Weight, g/mol:	363.033207
ΔH_f, kcal/mol:	-86.25
Dipole, Da:	6.39
IP(EA), eV:	-8.8(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-5-(3-chlorophenyl)-4-oxofuran-3-yl] phenylmethanesulfinate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1S(=O)(=O)N2CCCCN3[C@@H](C2)C([C@H]3COC)C4=CC=C(C=C4)C5=CC=CC=C5OC

DOS

IR

Vibrations