Geometry & MOs

Info

ID:	183215
PubChem CID:	76993124
Reduced:	FNO5C14H14 (1)
Stoich.:	ABC5D14E14 (1)
Weight, g/mol:	292.105922
ΔH_f, kcal/mol:	-238.4
Dipole, Da:	6.13
IP(EA), eV:	-9.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-carbamoyl-2-methoxyanilino)-2,3-dimethyl-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC(=C(C)C(=O)O)C(=O)NC1=C(C=CC(=C1)F)C(=O)OC

DOS

IR

Vibrations