Geometry & MOs

Info

ID:

239485

PubChem CID:

93166563

Reduced:

ClSN2O4C25H27 (1)

Stoich.:

ABC2D4E25F27 (1)

Weight, g/mol:

486.138006

ΔHf, kcal/mol:

-111.02

Dipole, Da:

5.71

IP(EA), eV:

 -9.04(-0.51)

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-(furan-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)N(CC1=CC=CO1)CC(=O)N2CCC3=C([C@@H]2COC4=CC(=C(C=C4)Cl)C)C=CS3

DOS

IR

Vibrations