Geometry & MOs

Info

ID:	402363
PubChem CID:	135055680
Reduced:	N2O5C33H46 (1)
Stoich.:	A2B5C33D46 (1)
Weight, g/mol:	407.05209
ΔH_f, kcal/mol:	-223.37
Dipole, Da:	5.56
IP(EA), eV:	-9.74(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-bromophenyl)-3-oxo-3-phenylpropyl]benzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N[C@@H](C/C(=N/C(=O)OCC1=CC=CC=C1)/C2=CC=C(C=C2)C)C(=O)OCC

DOS

IR

Vibrations