Geometry & MOs

Info

ID:

310241

PubChem CID:

126577165

Reduced:

O2S2F3N5C19H20 (1)

Stoich.:

A2B2C3D5E19F20 (1)

Weight, g/mol:

541.186912

ΔHf, kcal/mol:

-172.3

Dipole, Da:

3.96

IP(EA), eV:

 -9.23(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[2-(3-fluorophenyl)-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

CC1=C(SC(=C1C2=NN=C(O2)C)NC(=O)NCC3=C(SC4=C3CCNC4)C(F)(F)F)C

DOS

IR

Vibrations