Geometry & MOs

Info

ID:	314203
PubChem CID:	126620898
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	463.20063
ΔH_f, kcal/mol:	-80.63
Dipole, Da:	5.71
IP(EA), eV:	-9.58(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(2S,3R,4S,5R)-3,4-dihydroxy-5-methoxy-6,6-dimethyloxan-2-yl]oxy-2-(3-fluorophenyl)-3-hydroxyphenyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC(N1CC[C@@H](C1)OC2=CC=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations