Geometry & MOs

Info

ID:

239595

PubChem CID:

93166766

Reduced:

ClSN2O3C29H31 (1)

Stoich.:

ABC2D3E29F31 (1)

Weight, g/mol:

514.169306

ΔHf, kcal/mol:

-53.85

Dipole, Da:

3.77

IP(EA), eV:

 -9.08(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methylbutyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N(CC2CC2)CC(=O)N3CCC4=C([C@H]3COC5=CC(=C(C=C5)Cl)C)C=CS4

DOS

IR

Vibrations