Geometry & MOs

Info

ID:	189242
PubChem CID:	77831599
Reduced:	N2O8C13H24 (1)
Stoich.:	A2B8C13D24 (1)
Weight, g/mol:	420.185629
ΔH_f, kcal/mol:	-372.8
Dipole, Da:	1.91
IP(EA), eV:	-10.19(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-(2-aminopropanoyl)amino]-5-amino-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(CNCC(=O)O)OC1C(C(OC(C1O)CO)O)NC(=O)C

DOS

IR

Vibrations