Geometry & MOs

Info

ID:	34151
PubChem CID:	7890068
Reduced:	Cl2N3O4H13C15 (1)
Stoich.:	A2B3C4D13E15 (1)
Weight, g/mol:	385.096165
ΔH_f, kcal/mol:	-69.72
Dipole, Da:	5.38
IP(EA), eV:	-9.66(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 4-fluorobenzoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations