Geometry & MOs

Info

ID:

215260

PubChem CID:

85084445

Reduced:

N3O7C18H21 (2)

Stoich.:

A3B7C18D21 (2)

Weight, g/mol:

782.290505

ΔHf, kcal/mol:

-499.83

Dipole, Da:

11.83

IP(EA), eV:

 -9.37(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrrol-3-yl]carbamoyl]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrrol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NN(C(=O)C1C(O1)C(=O)N2CCCC3=CC=CC=C32)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations