Geometry & MOs

Info

ID:

191241

PubChem CID:

78122270

Reduced:

NO5C23H31 (1)

Stoich.:

AB5C23D31 (1)

Weight, g/mol:

1117.660778

ΔHf, kcal/mol:

-200.78

Dipole, Da:

3.69

IP(EA), eV:

 -8.75(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-amino-1-oxo-1-[[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]-3-hydroxy-2-(4-morpholin-4-ylbutanoylamino)butanamide

Drug info:

PubChemData

Smile

CCC(C1=CC(=CC=C1)O)C(C)CN(C)C.CC(=O)OC1=CC=CC=C1C(=O)O

DOS

IR

Vibrations