Geometry & MOs

Info

ID:

239306

PubChem CID:

93166288

Reduced:

SCl2N2O3H24C26 (1)

Stoich.:

AB2C2D3E24F26 (1)

Weight, g/mol:

502.132921

ΔHf, kcal/mol:

-36.96

Dipole, Da:

4.74

IP(EA), eV:

 -8.91(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1N(CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3)C(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations