Geometry & MOs

Info

ID:

223003

PubChem CID:

85333826

Reduced:

N9O11C41H71 (1)

Stoich.:

A9B11C41D71 (1)

Weight, g/mol:

867.590573

ΔHf, kcal/mol:

-589.2

Dipole, Da:

5.78

IP(EA), eV:

 -9.57(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-[[2-[[2-(2-acetamidopentanoylamino)-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]pentanoylamino]-N-[5-(diaminomethylideneamino)-1-(ethylamino)-1-oxopentan-2-yl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCCC1C(=O)NCC(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)O)N

DOS

IR

Vibrations