Geometry & MOs

Info

ID:

223254

PubChem CID:

85334752

Reduced:

SN15O23C56H93 (1)

Stoich.:

AB15C23D56E93 (1)

Weight, g/mol:

1375.972825

ΔHf, kcal/mol:

-1079.45

Dipole, Da:

17.61

IP(EA), eV:

 -8.55(-2.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]octanamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C1CCCN1C(=O)C(CCC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C(C(C)O)N

DOS

IR

Vibrations