Geometry & MOs

Info

ID:	189591
PubChem CID:	77876980
Reduced:	N2S2O3C10H12 (1)
Stoich.:	A2B2C3D10E12 (1)
Weight, g/mol:	596.269358
ΔH_f, kcal/mol:	-71.14
Dipole, Da:	4.44
IP(EA), eV:	-9.14(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-4-[2-[[2-[3,4-dihydroxy-2-(hydroxymethyl)-5-(2-methylpropanoylamino)-6-phenylmethoxyoxan-4-yl]acetyl]amino]propanoylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1C(CC1SC2=C(N3C(S2)CC3=O)C(=O)O)N

DOS

IR

Vibrations