Geometry & MOs

Info

ID:	242904
PubChem CID:	99214053
Reduced:	BrO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	449.195071
ΔH_f, kcal/mol:	-11.54
Dipole, Da:	5.24
IP(EA), eV:	-9.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide

Drug info:

PubChemData

Smile

CN(CC1=NN=C2N1CCC2)C(=O)[C@H]3CC(=O)N(C3)C4=CC=CC=C4Br

DOS

IR

Vibrations