Geometry & MOs

Info

ID:	38812
PubChem CID:	8137965
Reduced:	BrSO2N3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	373.108086
ΔH_f, kcal/mol:	-26.79
Dipole, Da:	1.37
IP(EA), eV:	-9.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2S)-2-(4-chlorophenoxy)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C)SCC(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations