Geometry & MOs

Info

ID:	222839
PubChem CID:	85332705
Reduced:	ClO11C26H31 (1)
Stoich.:	AB11C26D31 (1)
Weight, g/mol:	555.22168
ΔH_f, kcal/mol:	-441.4
Dipole, Da:	2.49
IP(EA), eV:	-9.66(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-methyl-2-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]amino]butanoyl]amino]-5-(2-methyl-6-oxooxan-4-yl)oxy-4-oxopentanoic acid

Drug info:

PubChemData

Smile

C1C2C(C(C(C(O2)OC3C(OC(C(C3O)O)OCC4=CC=C(C=C4)Cl)CO)O)O)OC(O1)C5=CC=CC=C5

DOS

IR

Vibrations