Geometry & MOs

Info

ID:

191818

PubChem CID:

78190174

Reduced:

N2O4C20H25 (2)

Stoich.:

A2B4C20D25 (2)

Weight, g/mol:

1536.948419

ΔHf, kcal/mol:

-310.63

Dipole, Da:

8.03

IP(EA), eV:

 -9.35(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-[(1-amino-1-oxo-3-sulfanylpropan-2-yl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[2-[12,15-bis(4-aminobutyl)-6,9,18-tris[3-(diaminomethylideneamino)propyl]-5,8,11,14,17,20,26-heptaoxo-1,4,7,10,13,16,19-heptazacyclohexacos-4-yl]acetyl]amino]-5-(diaminomethylideneamino)pentanamide

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(CC1=CC=CC=C1)C(C(C(CC2=CC=CC=C2)NC(=O)COC3=CC=CC=C3)O)O)NC(=O)C4CC(=O)C5CCCCC5N4)O

DOS

IR

Vibrations