Geometry & MOs

Info

ID:	318492
PubChem CID:	126651521
Reduced:	BrNC6H8 (1)
Stoich.:	ABC6D8 (1)
Weight, g/mol:	377.98851
ΔH_f, kcal/mol:	72.6
Dipole, Da:	2.35
IP(EA), eV:	-9.1(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(6-bromo-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2-methyl-2-methylsulfonylbutanoic acid

Drug info:

PubChemData

Smile

CN1CC(C1)C#CBr

DOS

IR

Vibrations