Geometry & MOs

Info

ID:	208509
PubChem CID:	80538951
Reduced:	SBr3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	32.72
Dipole, Da:	2.52
IP(EA), eV:	-8.91(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[3-(2-oxopyridin-1-yl)propanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1C)C(C2=CC(=C(S2)Br)Br)Br)C)C

DOS

IR

Vibrations