Geometry & MOs

Info

ID:

239676

PubChem CID:

93166880

Reduced:

ClSN3O3C28H32 (1)

Stoich.:

ABC3D3E28F32 (1)

Weight, g/mol:

491.164555

ΔHf, kcal/mol:

-83.62

Dipole, Da:

7.59

IP(EA), eV:

 -8.25(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations