Geometry & MOs

Info

ID:	403544
PubChem CID:	135060762
Reduced:	F3O4H13C19 (1)
Stoich.:	A3B4C13D19 (1)
Weight, g/mol:	332.100836
ΔH_f, kcal/mol:	-248.43
Dipole, Da:	4.71
IP(EA), eV:	-10.13(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,3S)-3-(2-hydroxyphenyl)-1,4-dinitrobutan-2-yl]phenol

Drug info:

PubChemData

Smile

COC(=O)[C@@]1(C(=CC(=O)O1)C2=CC=CC=C2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations