Geometry & MOs

Info

ID:	391533
PubChem CID:	135006344
Reduced:	ClNO3C22H24 (1)
Stoich.:	ABC3D22E24 (1)
Weight, g/mol:	327.01062
ΔH_f, kcal/mol:	-107.25
Dipole, Da:	1.55
IP(EA), eV:	-9.55(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@]1([C@@H](N(C1=O)C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations