Geometry & MOs

Info

ID:	140920
PubChem CID:	52784557
Reduced:	BrN2O5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	416.209993
ΔH_f, kcal/mol:	-188.3
Dipole, Da:	5.45
IP(EA), eV:	-8.94(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)C(=O)N[C@@H](C)C(=O)N2CCOCC2)OC

DOS

IR

Vibrations