Geometry & MOs

Info

ID:	217496
PubChem CID:	85087904
Reduced:	SF2N3O3C16H17 (1)
Stoich.:	AB2C3D3E16F17 (1)
Weight, g/mol:	369.099457
ΔH_f, kcal/mol:	-161.58
Dipole, Da:	3.26
IP(EA), eV:	-9.65(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(2-nitrooxyethylcarbamoyl)-2-phenyl-1,3-thiazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)OC(=O)C)SC(=O)C

DOS

IR

Vibrations