Geometry & MOs

Info

ID:

310243

PubChem CID:

126577195

Reduced:

S2O3N4C25H32 (1)

Stoich.:

A2B3C4D25E32 (1)

Weight, g/mol:

511.0599

ΔHf, kcal/mol:

-83.94

Dipole, Da:

5.14

IP(EA), eV:

 -8.86(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[(2-bromo-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)SC(=C2CNC(=O)NC3=C(C(=C(S3)C)C)C(=O)OC(C)C)N4C=CC=C4

DOS

IR

Vibrations