Geometry & MOs

Info

ID:

85701

PubChem CID:

49878344

Reduced:

BrClSN3O5H21C27 (1)

Stoich.:

ABCD3E5F21G27 (1)

Weight, g/mol:

568.169975

ΔHf, kcal/mol:

-102.71

Dipole, Da:

7.7

IP(EA), eV:

 -8.45(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-4-(2-chlorophenyl)-5-N-(2,4-dimethylphenyl)-6-methyl-2-N-(2-phenylethyl)thieno[2,3-b]pyridine-2,5-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NS(=O)(=O)C2=CC(=CC3=C2N(CC3)C(=O)C4CC4)Br)N5C(=O)C6=C(C5=O)C=C(C=C6)Cl

DOS

IR

Vibrations