Geometry & MOs

Info

ID:	159791
PubChem CID:	57288754
Reduced:	N4O5C12H12 (1)
Stoich.:	A4B5C12D12 (1)
Weight, g/mol:	331.210721
ΔH_f, kcal/mol:	-111.57
Dipole, Da:	2.06
IP(EA), eV:	-9.58(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-N,2-dihydroxy-N-methyl-N'-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-3-propylbutanediamide

Drug info:

PubChemData

Smile

C=CC(=O)OCCOC(=O)CC1=CC(=O)N2C(=N1)N=CN2

DOS

IR

Vibrations