Geometry & MOs

Info

ID:

223263

PubChem CID:

85334763

Reduced:

ClO14N18C65H101 (1)

Stoich.:

AB14C18D65E101 (1)

Weight, g/mol:

1393.865685

ΔHf, kcal/mol:

-650.17

Dipole, Da:

4.12

IP(EA), eV:

 -9.35(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-amino-4-methylpentyl) 5-amino-2-[[2-[[2-[[5-amino-2-[[2-[[2-[[2-[[5-amino-2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CO)C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCCN)C(=O)NCC(=O)N2CCCC2C(=O)NC(CC3CCCCC3)C(=O)N4CCCC4C(=O)NC(CC5=CC=C(C=C5)Cl)C(=O)O)NC(=O)C(C)NC(=O)C6CCCN6C(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations