Geometry & MOs

Info

ID:

215643

PubChem CID:

85085024

Reduced:

O11N15C55H75 (1)

Stoich.:

A11B15C55D75 (1)

Weight, g/mol:

1124.439252

ΔHf, kcal/mol:

-385.57

Dipole, Da:

11.85

IP(EA), eV:

 -8.96(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4-aminobutyl)-19-[[2-amino-3-(2,4-dioxo-1,3-diazinan-1-yl)propanoyl]amino]-N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-16-[(6-aminopurin-9-yl)methyl]-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

Drug info:

PubChemData

Smile

CN(C(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NCC(=O)NC(=CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O)C(=O)C(CCCN=C(N)N)N

DOS

IR

Vibrations