Geometry & MOs

Info

ID:	425488
PubChem CID:	135126519
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	326.115424
ΔH_f, kcal/mol:	-49.12
Dipole, Da:	5.5
IP(EA), eV:	-9.08(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-3,5-dimethylphenyl)-5,7-dimethoxychromen-4-one

Drug info:

PubChemData

Smile

CC1=C/C(=N\NC2=CC=C(C=C2)S(=O)(=O)NC3CCCC3)/C(=CC1=O)N

DOS

IR

Vibrations