Geometry & MOs

Info

ID:	141535
PubChem CID:	52891724
Reduced:	NSO4C16H23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	439.9558
ΔH_f, kcal/mol:	-162.67
Dipole, Da:	9.21
IP(EA), eV:	-9.04(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-acetamido-N-(2,4-dibromophenyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCCN([C@H]1CCS(=O)(=O)C1)C(=O)COC2=CC=C(C=C2)C

DOS

IR

Vibrations