Geometry & MOs

Info

ID:	38218
PubChem CID:	8028121
Reduced:	N3O4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	285.078327
ΔH_f, kcal/mol:	-85.57
Dipole, Da:	5.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.781808
Charge, e:	0

Chem-info

IUPAC name:

3-[[furan-2-ylmethyl(hydroxymethyl)amino]methyl]-2-(hydroxymethylimino)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1[C@H]([NH2+]CC2=CC=CC=C21)C(=O)NCC(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations