Geometry & MOs

Info

ID:

447727

PubChem CID:

135285149

Reduced:

N5O10C48H91 (1)

Stoich.:

A5B10C48D91 (1)

Weight, g/mol:

986.589964

ΔHf, kcal/mol:

-651.43

Dipole, Da:

5.42

IP(EA), eV:

 -9.26(0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 15-[[5-[[3-hydroxy-1-[[2-[[2-[[2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-15-oxopentadecanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCCCCCCCCCCCC(=O)NC(CCC(=O)NCCCN(CCCCN(CCCN)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations