Geometry & MOs

Info

ID:

176641

PubChem CID:

76077024

Reduced:

O4C24H25 (2)

Stoich.:

A4B24C25 (2)

Weight, g/mol:

753.410149

ΔHf, kcal/mol:

-187.35

Dipole, Da:

4.3

IP(EA), eV:

 -8.73(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[[3-hydroxy-1-[(1-hydroxy-3-methylpentan-2-yl)amino]-6-methyl-1-oxoheptan-4-yl]amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC(C(C(C(COCC2=CC=CC=C2)OCC3=CC(=CC=C3)OCC4=CC=CC=C4)O)O)OCC5=CC(=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations