Geometry & MOs

Info

ID:

190874

PubChem CID:

78070877

Reduced:

N6O7C37H42 (1)

Stoich.:

A6B7C37D42 (1)

Weight, g/mol:

1464.554601

ΔHf, kcal/mol:

-249.0

Dipole, Da:

5.35

IP(EA), eV:

 -8.55(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylsulfanylbutanoyl]amino]-3-(2-amino-2-oxoethyl)-20-(3-amino-3-oxopropyl)-26,29-bis(1-hydroxyethyl)-6,23-bis[(4-hydroxyphenyl)methyl]-17-(2-methylsulfanylethyl)-2,5,8,16,19,22,25,28,31-nonaoxo-11,12-dithia-1,4,7,15,18,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-14-carboxylic acid

Drug info:

PubChemData

Smile

C1C(C(=O)NCC(NC(=O)C(NC(=O)C(NC1=O)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)C(=O)NC(CO)CO

DOS

IR

Vibrations