Geometry & MOs

Info

ID:	134909
PubChem CID:	51780914
Reduced:	N4O5C20H26 (1)
Stoich.:	A4B5C20D26 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-133.53
Dipole, Da:	5.78
IP(EA), eV:	-10.12(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,2S)-1-(tert-butylamino)-1-oxopent-3-en-2-yl]-N-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

CN([C@H](C1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC2CCCCC2)C(=O)[C@@H]3CCC(=O)N3

DOS

IR

Vibrations