Geometry & MOs

Info

ID:	189243
PubChem CID:	77831600
Reduced:	N4O9C16H28 (1)
Stoich.:	A4B9C16D28 (1)
Weight, g/mol:	420.185629
ΔH_f, kcal/mol:	-415.71
Dipole, Da:	6.88
IP(EA), eV:	-9.97(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N(C1C(C(C(C(O1)CO)O)O)NC(=O)C)C(CCC(=O)N)C(=O)O)N

DOS

IR

Vibrations