Geometry & MOs

Info

ID:	150613
PubChem CID:	53790306
Reduced:	O3N4H16C19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	608.246891
ΔH_f, kcal/mol:	42.76
Dipole, Da:	5.86
IP(EA), eV:	-9.41(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2S)-6-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1,7-bis(4-hydroxyphenyl)heptan-3-one

Drug info:

PubChemData

Smile

CC1CC2=C(C3=CC=CC=C3N1C(=O)C4=CC=C(C=C4)[N+](=O)[O-])NN=C2

DOS

IR

Vibrations