Geometry & MOs

Info

ID:

149367

PubChem CID:

53789039

Reduced:

N2O3C17H18 (1)

Stoich.:

A2B3C17D18 (1)

Weight, g/mol:

1051.477201

ΔHf, kcal/mol:

-68.39

Dipole, Da:

7.31

IP(EA), eV:

 -9.28(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-(4-aminobutyl)-19-[[2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetyl]amino]-N-[2-amino-1-(2,3-dihydro-1H-inden-2-yl)-2-oxoethyl]-13-(1H-indol-3-ylmethyl)-16-methyl-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)OC(=O)C2=C(C3=C(CCCC3=O)C=C2)C

DOS

IR

Vibrations