Geometry & MOs

Info

ID:

310248

PubChem CID:

126577308

Reduced:

S2N3O4C23H31 (1)

Stoich.:

A2B3C4D23E31 (1)

Weight, g/mol:

527.154863

ΔHf, kcal/mol:

-165.46

Dipole, Da:

4.44

IP(EA), eV:

 -8.8(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

oxolan-3-yl 2-[[2-(furan-2-yl)-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

CCC1=C(C2=C(S1)CNCC2)CNC(=O)NC3=C(C4=C(S3)COCC4)C(=O)OC(C)(C)C

DOS

IR

Vibrations