Geometry & MOs

Info

ID:

231941

PubChem CID:

87574966

Reduced:

S3N9O11H47C50 (1)

Stoich.:

A3B9C11D47E50 (1)

Weight, g/mol:

709.92568

ΔHf, kcal/mol:

-220.14

Dipole, Da:

12.61

IP(EA), eV:

 -9.19(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(2-aminoacetyl)amino]-2,4,6-tribromo-3-N-(1,2,5,6,7,8,9-heptahydroxynonan-4-yl)benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=COC=C1C2=C(SC(=N2)NC(=O)C3CCC(CC3)C(=O)OC4(CCCC(C4)C(=O)NC5=NC(=C(S5)C#N)C6=COC=C6C)C(=O)OC(=O)CCC(C)(C)C(=O)NC7=NC(=C(S7)C#N)C8=COC=C8C)C#N

DOS

IR

Vibrations