Geometry & MOs

Info

ID:	139570
PubChem CID:	52559226
Reduced:	BrFNSO4C17H17 (1)
Stoich.:	ABCDE4F17G17 (1)
Weight, g/mol:	458.151158
ΔH_f, kcal/mol:	-176.74
Dipole, Da:	4.43
IP(EA), eV:	-9.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2R)-3-[2-[[(3S)-1,1-dioxothiolan-3-yl]methyl]benzimidazol-1-yl]-2-hydroxypropoxy]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)S(=O)(=O)N[C@H](CC(=O)OC)C2=CC=C(C=C2)Br

DOS

IR

Vibrations