Geometry & MOs

Info

ID:	127484
PubChem CID:	51003427
Reduced:	NO6C24H29 (1)
Stoich.:	AB6C24D29 (1)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-186.01
Dipole, Da:	5.28
IP(EA), eV:	-8.86(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-(2-phenylethynyl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=N/OCCOC2=CC=C(C=C2)CC3COC(OC3)(C)C(=O)O)/C

DOS

IR

Vibrations