Geometry & MOs

Info

ID:	32558
PubChem CID:	7843976
Reduced:	ClOSN2H21C24 (1)
Stoich.:	ABCD2E21F24 (1)
Weight, g/mol:	386.082409
ΔH_f, kcal/mol:	16.84
Dipole, Da:	3.77
IP(EA), eV:	-8.86(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-4-thiophen-2-ylbutyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@@H](C)C4=CC=CC=C4Cl)C

DOS

IR

Vibrations