Geometry & MOs

Info

ID:	391534
PubChem CID:	135006347
Reduced:	BrNO4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	327.01062
ΔH_f, kcal/mol:	-145.64
Dipole, Da:	3.7
IP(EA), eV:	-10.06(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-acetamido-4-(3-bromophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC(=O)C1=CC=C(C=C1)Br)C(=O)OC

DOS

IR

Vibrations