Geometry & MOs

Info

ID:	237394
PubChem CID:	92719032
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-114.69
Dipole, Da:	5.17
IP(EA), eV:	-9.66(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 4-methyl-3-nitrobenzoate

Drug info:

PubChemData

Smile

CCC[C@@H](C1=CC=CC=C1)NC(=O)[C@@H](C)OC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations