Geometry & MOs

Info

ID:

310249

PubChem CID:

126577314

Reduced:

S2N3O5C26H29 (1)

Stoich.:

A2B3C5D26E29 (1)

Weight, g/mol:

503.116033

ΔHf, kcal/mol:

-153.35

Dipole, Da:

4.73

IP(EA), eV:

 -8.9(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

oxolan-3-yl 4,5-dimethyl-2-[[2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methylcarbamoylamino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC(=O)NCC3=C(SC4=C3CCNC4)C5=CC=CO5)C(=O)OC6CCOC6

DOS

IR

Vibrations