Geometry & MOs

Info

ID:	33141
PubChem CID:	7885133
Reduced:	ClFN2O4C20H20 (1)
Stoich.:	ABC2D4E20F20 (1)
Weight, g/mol:	345.121237
ΔH_f, kcal/mol:	-197.17
Dipole, Da:	5.7
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[2-[(3,4-dimethylbenzoyl)amino]acetyl]oxymethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)O[C@H](C)C(=O)NC2=C(C=C(C=C2)F)Cl)C

DOS

IR

Vibrations