Geometry & MOs

Info

ID:	302639
PubChem CID:	124391243
Reduced:	BrN2O6H15C18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	388.15537
ΔH_f, kcal/mol:	-158.04
Dipole, Da:	3.79
IP(EA), eV:	-9.34(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-(5-chloro-2-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)/C=C\2/C(=O)N(C(=O)N2)CC3=CC=C(O3)C(=O)OC

DOS

IR

Vibrations