Geometry & MOs

Info

ID:	174439
PubChem CID:	75764116
Reduced:	ClFN2O4C16H20 (1)
Stoich.:	ABC2D4E16F20 (1)
Weight, g/mol:	366.145381
ΔH_f, kcal/mol:	-207.01
Dipole, Da:	3.49
IP(EA), eV:	-9.45(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-[4-(2-methyl-6-oxo-1,3-diazinan-4-yl)anilino]-2-oxoethyl]benzoate

Drug info:

PubChemData

Smile

C1CC[NH+](C1)C(CNC(=O)COCC(=O)[O-])C2=C(C=CC=C2Cl)F

DOS

IR

Vibrations