Geometry & MOs

Info

ID:	162550
PubChem CID:	57395033
Reduced:	ClN4O5C35H41 (1)
Stoich.:	AB4C5D35E41 (1)
Weight, g/mol:	222.049967
ΔH_f, kcal/mol:	-140.1
Dipole, Da:	6.77
IP(EA), eV:	-8.88(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-fluoro-1-hydroxy-3H-2,1-benzoxaborol-7-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(=O)NCCC1=CC(=C(C=C1)Cl)CN(C2CC2)C(=O)[C@H]3CNCC(=O)N3C4=CC=C(C=C4)OCCCOCC5=CC=CC=C5

DOS

IR

Vibrations