Geometry & MOs

Info

ID:	208500
PubChem CID:	80537863
Reduced:	OSBr2N2C13H20 (1)
Stoich.:	ABC2D2E13F20 (1)
Weight, g/mol:	325.03136
ΔH_f, kcal/mol:	-24.54
Dipole, Da:	2.94
IP(EA), eV:	-9.4(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCN(CC(C)(C)CN)C(=O)C1=CC(=C(S1)Br)Br

DOS

IR

Vibrations