Geometry & MOs

Info

ID:	398126
PubChem CID:	135031893
Reduced:	SN2O5H20C21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	292.094688
ΔH_f, kcal/mol:	-45.06
Dipole, Da:	7.09
IP(EA), eV:	-9.23(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-5-(4-methyl-2-oxochromen-7-yl)oxypentanal

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])/C=C/C3=CC=CO3

DOS

IR

Vibrations