Geometry & MOs

Info

ID:	395232
PubChem CID:	135024980
Reduced:	NCl2O5H9C12 (1)
Stoich.:	AB2C5D9E12 (1)
Weight, g/mol:	360.975607
ΔH_f, kcal/mol:	-103.16
Dipole, Da:	6.99
IP(EA), eV:	-10.3(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3,4-dichloro-5-oxo-2H-furan-2-yl)-hydroxymethyl]-3-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C2C(=C(C(=O)O2)Cl)Cl)O)[N+](=O)[O-]

DOS

IR

Vibrations