Geometry & MOs

Info

ID:	218025
PubChem CID:	85088763
Reduced:	ClO2S2N3C19H20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	422.084911
ΔH_f, kcal/mol:	26.07
Dipole, Da:	6.3
IP(EA), eV:	-8.78(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,5-dihydroxy-5-(5-hydroxy-3,7-dimethoxy-4-oxochromen-2-yl)-2-methoxy-4-oxocyclopent-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)C=C(C2=CN=C(C=C2)S(=O)C3CC3)C(=O)NC4=NC=C(S4)Cl

DOS

IR

Vibrations