Geometry & MOs

Info

ID:

239621

PubChem CID:

93166804

Reduced:

ClSN2O3C28H29 (1)

Stoich.:

ABC2D3E28F29 (1)

Weight, g/mol:

491.200941

ΔHf, kcal/mol:

-53.19

Dipole, Da:

3.71

IP(EA), eV:

 -8.84(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-tert-butyl-1-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-(2-methylpropyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N(CC=C)CC(=O)N2CCC3=C([C@H]2COC4=CC(=C(C=C4)Cl)C)C=CS3

DOS

IR

Vibrations