Geometry & MOs

Info

ID:	79935
PubChem CID:	49831524
Reduced:	F2O3H20C23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	348.132136
ΔH_f, kcal/mol:	-140.69
Dipole, Da:	1.77
IP(EA), eV:	-8.98(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,2S,4S,5S)-4-hydroxy-5-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCCCOC(=O)/C=C/C1=C(OC(=C1F)C2=CC=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations