Geometry & MOs

Info

ID:	135297
PubChem CID:	51848026
Reduced:	N2O3C12H15 (2)
Stoich.:	A2B3C12D15 (2)
Weight, g/mol:	366.194343
ΔH_f, kcal/mol:	-79.16
Dipole, Da:	2.43
IP(EA), eV:	-9.94(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,2S)-1-(butylamino)-1-oxopent-3-en-2-yl]-2-hydroxy-N-phenylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C(CC)CC)N(C1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations