Geometry & MOs

Info

ID:

85697

PubChem CID:

49878325

Reduced:

BrSN4O4C26H33 (1)

Stoich.:

ABC4D4E26F33 (1)

Weight, g/mol:

628.191104

ΔHf, kcal/mol:

-82.87

Dipole, Da:

6.69

IP(EA), eV:

 -8.3(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-4-(4-chlorophenyl)-2-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)CCCNS(=O)(=O)C3=CC(=CC4=C3N(CC4)C(=O)C5CC5)Br

DOS

IR

Vibrations