Geometry & MOs

Info

ID:

215444

PubChem CID:

85084743

Reduced:

SO9N10C45H66 (1)

Stoich.:

AB9C10D45E66 (1)

Weight, g/mol:

922.69431

ΔHf, kcal/mol:

-385.2

Dipole, Da:

6.43

IP(EA), eV:

 -8.69(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[[1-[[2-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]octadecanamide

Drug info:

PubChemData

Smile

CCCCN(CC(=O)NC(CC(=O)O)C(=O)N)C(=O)C(C(C)(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC2=CC=CC=C2)NCC(CCSC)NC(=O)C(CC3=CC=C(C=C3)O)N

DOS

IR

Vibrations