Geometry & MOs

Info

ID:	232733
PubChem CID:	87576839
Reduced:	S2N6C23H34 (1)
Stoich.:	A2B6C23D34 (1)
Weight, g/mol:	245.173942
ΔH_f, kcal/mol:	75.78
Dipole, Da:	4.96
IP(EA), eV:	-8.8(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(hydroxyamino)-2-oxoethyl]-4-methyl-2-(propylamino)pentanamide

Drug info:

PubChemData

Smile

CN1CCC=C(C1)C2=C(C=NN2)C(CCCC(C3=C(NN=C3)C4=CCCN(C4)C)S)S

DOS

IR

Vibrations