Geometry & MOs

Info

ID:	413845
PubChem CID:	135086795
Reduced:	ClFNO2H13C16 (1)
Stoich.:	ABCD2E13F16 (1)
Weight, g/mol:	353.147452
ΔH_f, kcal/mol:	-71.88
Dipole, Da:	2.59
IP(EA), eV:	-9.69(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3,4-dimethoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoate

Drug info:

PubChemData

Smile

COC(=O)CN=C(C1=CC=C(C=C1)F)C2=CC=CC=C2Cl

DOS

IR

Vibrations