Geometry & MOs

Info

ID:	396254
PubChem CID:	135027875
Reduced:	NSO6C17H21 (1)
Stoich.:	ABC6D17E21 (1)
Weight, g/mol:	338.079038
ΔH_f, kcal/mol:	-212.84
Dipole, Da:	7.9
IP(EA), eV:	-10.03(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-hydroxybenzoyl)furan-3-yl]-(2-hydroxy-4-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1(COC(=O)[C@]12[C@@H]([C@@H](CN2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC)C

DOS

IR

Vibrations