Geometry & MOs

Info

ID:	182967
PubChem CID:	76964657
Reduced:	BrFNO3C33H45 (1)
Stoich.:	ABCD3E33F45 (1)
Weight, g/mol:	240.084517
ΔH_f, kcal/mol:	-193.02
Dipole, Da:	4.38
IP(EA), eV:	-8.98(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2,3,4-trihydroxybutanal;(2S,3R)-2,3,4-trihydroxybutanal

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)OC1(CCN(CC1)CCCC(=O)C2=CC(=C(C=C2)F)CC)C3=CC=C(C=C3)Br

DOS

IR

Vibrations