Geometry & MOs

Info

ID:	405220
PubChem CID:	135073056
Reduced:	ClNOF2H20C24 (1)
Stoich.:	ABCD2E20F24 (1)
Weight, g/mol:	349.152537
ΔH_f, kcal/mol:	-53.67
Dipole, Da:	6.04
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[2-(4-acetyl-N-methylanilino)-2-oxoethyl]propanedioate

Drug info:

PubChemData

Smile

CC(=O)/C=C/C1=C(C=CC(=C1)Cl)N(CC2=CC=C(C=C2)F)CC3=CC=C(C=C3)F

DOS

IR

Vibrations