Geometry & MOs

Info

ID:	34063
PubChem CID:	7889644
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	389.06266
ΔH_f, kcal/mol:	-138.74
Dipole, Da:	6.07
IP(EA), eV:	-8.79(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl] 4-bromobenzoate

Drug info:

PubChemData

Smile

CC[C@H](C)C1=CC=CC=C1NC(=O)COC(=O)CNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations