Geometry & MOs

Info

ID:

310245

PubChem CID:

126577200

Reduced:

S2O3N4C30H40 (1)

Stoich.:

A2B3C4D30E40 (1)

Weight, g/mol:

537.07555

ΔHf, kcal/mol:

-117.09

Dipole, Da:

2.53

IP(EA), eV:

 -8.32(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)SC(=C2C(C)(C)NC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC(C)(C)C)N5C=CC=C5

DOS

IR

Vibrations