Geometry & MOs

Info

ID:

239691

PubChem CID:

93166904

Reduced:

ClSN3O3C28H30 (1)

Stoich.:

ABC3D3E28F30 (1)

Weight, g/mol:

505.216591

ΔHf, kcal/mol:

-42.7

Dipole, Da:

5.06

IP(EA), eV:

 -8.76(-0.58)

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-(3-methylbutyl)urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N(CC2CC2)CC(=O)N3CCC4=C([C@H]3COC5=CC=C(C=C5)Cl)C=CS4

DOS

IR

Vibrations