Geometry & MOs

Info

ID:	195855
PubChem CID:	78743203
Reduced:	NCl2O4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	387.08735
ΔH_f, kcal/mol:	-117.23
Dipole, Da:	5.9
IP(EA), eV:	-9.21(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-acetylanilino)-2-oxoethyl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=CC(=O)OCC(=O)NC2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations