Geometry & MOs

Info

ID:	222620
PubChem CID:	85305633
Reduced:	SN4O6C15H18 (1)
Stoich.:	AB4C6D15E18 (1)
Weight, g/mol:	382.040562
ΔH_f, kcal/mol:	-182.04
Dipole, Da:	5.7
IP(EA), eV:	-10.4(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-2-[[1,1,4-trioxo-2-(1,3-thiazol-2-ylmethyl)-1,2,5-thiadiazolidin-3-yl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(CC(O2)N3C=NC(=N3)C(=O)N)O

DOS

IR

Vibrations