Geometry & MOs

Info

ID:	36588
PubChem CID:	8009232
Reduced:	ClNO4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	337.051714
ΔH_f, kcal/mol:	-130.97
Dipole, Da:	4.77
IP(EA), eV:	-9.1(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations