Geometry & MOs

Info

ID:	402271
PubChem CID:	135055279
Reduced:	SO4C6H10 (1)
Stoich.:	AB4C6D10 (1)
Weight, g/mol:	428.121966
ΔH_f, kcal/mol:	-148.71
Dipole, Da:	2.52
IP(EA), eV:	-9.44(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(2-methoxy-4-nitroanilino)-2-(3-methoxyphenyl)-2-[(2R)-5-oxo-2H-furan-2-yl]acetate

Drug info:

PubChemData

Smile

C([C@H](C=O)O)SCC(C=O)O

DOS

IR

Vibrations