Geometry & MOs

Info

ID:

215269

PubChem CID:

85084458

Reduced:

O9N10C37H58 (1)

Stoich.:

A9B10C37D58 (1)

Weight, g/mol:

786.598284

ΔHf, kcal/mol:

-416.18

Dipole, Da:

8.84

IP(EA), eV:

 -8.76(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-amino-1-[[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]octadecanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1CCCCC1)C(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CO)NC(=O)C

DOS

IR

Vibrations