Geometry & MOs

Info

ID:	189284
PubChem CID:	77838149
Reduced:	SN2O4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	400.151348
ΔH_f, kcal/mol:	-123.46
Dipole, Da:	3.05
IP(EA), eV:	-10.03(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dihydroxy-5-oxo-4-[(2-phenylacetyl)amino]-5-piperazin-1-ylpentanamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C1C2N(C1=O)CC(S2)(C3=CC=NC=C3)C(=O)O)O

DOS

IR

Vibrations