Geometry & MOs

Info

ID:

310240

PubChem CID:

126577164

Reduced:

S2O3N4C27H32 (1)

Stoich.:

A2B3C4D27E32 (1)

Weight, g/mol:

471.101052

ΔHf, kcal/mol:

-97.8

Dipole, Da:

4.23

IP(EA), eV:

 -8.33(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]-3-[[2-(trifluoromethyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations