Geometry & MOs

Info

ID:

180795

PubChem CID:

76686848

Reduced:

N11O12C52H85 (1)

Stoich.:

A11B12C52D85 (1)

Weight, g/mol:

929.620142

ΔHf, kcal/mol:

-580.7

Dipole, Da:

13.02

IP(EA), eV:

 -8.9(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[6-benzyl-7-[[1-(diaminomethylideneamino)-7-(hydroxymethyl)-8-[(1-hydroxy-3-oxobutan-2-yl)amino]-5,8-dioxooctan-4-yl]amino]-2-methyl-4,7-dioxoheptan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]hexadecanamide

Drug info:

PubChemData

Smile

CCC(C)C(CC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)C(CC(=O)O)NC(=O)C(C)CC(=O)C(CO)NC(=O)C(CCCN=C(N)N)CC(=O)C(CCCN=C(N)N)NC(=O)C(C)CC)C(C)CC)C(=O)N

DOS

IR

Vibrations