Geometry & MOs

Info

ID:	218976
PubChem CID:	85090282
Reduced:	NS2O3H23C24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	582.216653
ΔH_f, kcal/mol:	-62.76
Dipole, Da:	6.53
IP(EA), eV:	-8.96(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]([C@H](CCC2=O)SC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations