Geometry & MOs

Info

ID:	220391
PubChem CID:	85182343
Reduced:	N2O2C24H25 (1)
Stoich.:	A2B2C24D25 (1)
Weight, g/mol:	473.078052
ΔH_f, kcal/mol:	36.63
Dipole, Da:	2.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758344
Charge, e:	0

Chem-info

IUPAC name:

4-(acetyloxymethyl)-8-[(7-methoxy-2-oxochromene-3-carbonyl)amino]-7-oxo-2-thiabicyclo[4.2.0]oct-4-ene-5-carboxylic acid

Drug info:

PubChemData

Smile

C[N+](=C1C(C(N1C2=CC=C(C=C2)OC)C3=CC=CC=C3)OC4=CC=CC=C4)C

DOS

IR

Vibrations