Geometry & MOs

Info

ID:	317991
PubChem CID:	126648225
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	355.083806
ΔH_f, kcal/mol:	-121.19
Dipole, Da:	5.16
IP(EA), eV:	-8.2(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,3-dihydroxy-1,2-thiazolidin-2-yl)ethyl]-N-hydroxy-3-oxo-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CN2C3=C(C=CC(=C3)C(=O)N)OC(C2=O)O)C4=CC=CC=C4

DOS

IR

Vibrations