Geometry & MOs

Info

ID:

310242

PubChem CID:

126577175

Reduced:

FS2N3O3C28H32 (1)

Stoich.:

AB2C3D3E28F32 (1)

Weight, g/mol:

500.191583

ΔHf, kcal/mol:

-156.7

Dipole, Da:

2.51

IP(EA), eV:

 -8.36(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3=C(SC4=C3CCNC4)C5=CC(=CC=C5)F

DOS

IR

Vibrations