Geometry & MOs

Info

ID:	189611
PubChem CID:	77880438
Reduced:	O2C14H23 (2)
Stoich.:	A2B14C23 (2)
Weight, g/mol:	492.243143
ΔH_f, kcal/mol:	-194.77
Dipole, Da:	5.25
IP(EA), eV:	-9.56(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropyl 5-amino-4-[2-aminopropanoyl(methyl)amino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CCCCCCCC(C)C=CC1C=CC(=O)C1CC=CCCC(C(=O)COCCCC)O

DOS

IR

Vibrations