Geometry & MOs

Info

ID:	398805
PubChem CID:	135035485
Reduced:	NH10C15 (2)
Stoich.:	AB10C15 (2)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	256.64
Dipole, Da:	0.19
IP(EA), eV:	-8.8(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-benzoyl-N-methoxy-N-methyl-4-nitro-3-phenylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#CC2=CC=CC=C2/C=N/N=C/C3=CC=CC=C3C#CC4=CC=CC=C4

DOS

IR

Vibrations