Geometry & MOs

Info

ID:	402415
PubChem CID:	135055894
Reduced:	ClFO2H10C11 (1)
Stoich.:	ABC2D10E11 (1)
Weight, g/mol:	524.00805
ΔH_f, kcal/mol:	-105.31
Dipole, Da:	3.77
IP(EA), eV:	-9.77(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C(=C)[C@@H](C1=C(C=C(C=C1)Cl)F)O

DOS

IR

Vibrations