Geometry & MOs

Info

ID:	127586
PubChem CID:	51007409
Reduced:	NSO4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	338.136553
ΔH_f, kcal/mol:	-145.13
Dipole, Da:	6.17
IP(EA), eV:	-9.38(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6R,7S)-7-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybicyclo[4.4.1]undeca-2,4,8-trien-11-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3CC[C@@H]2C(=CC3)C4(OCCO4)C

DOS

IR

Vibrations