Geometry & MOs

Info

ID:

51531

PubChem CID:

12014214

Reduced:

H12C13 (1)

Stoich.:

A12B13 (1)

Weight, g/mol:

640.191308

ΔHf, kcal/mol:

80.69

Dipole, Da:

0.62

IP(EA), eV:

 -9.08(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[2-[3-[2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethoxy]phenoxy]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C=CC1[C@H]2C=C[C@@H]1C3=CC=CC=C23

DOS

IR

Vibrations