Geometry & MOs

Info

ID:	407068
PubChem CID:	135079232
Reduced:	SN2O4C28H28 (1)
Stoich.:	AB2C4D28E28 (1)
Weight, g/mol:	211.99785
ΔH_f, kcal/mol:	-87.98
Dipole, Da:	5.21
IP(EA), eV:	-8.54(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)OC/C=C\C1=CC=CC=C1NC(=S)[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations