Geometry & MOs

Info

ID:

239420

PubChem CID:

93166464

Reduced:

ClFSN2O3H26C27 (1)

Stoich.:

ABCD2E3F26G27 (1)

Weight, g/mol:

512.13367

ΔHf, kcal/mol:

-82.58

Dipole, Da:

6.81

IP(EA), eV:

 -8.94(-0.49)

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-(cyclopropylmethyl)-3-fluorobenzamide

Drug info:

PubChemData

Smile

C1CC1CN(CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3)C(=O)C5=CC=CC=C5F

DOS

IR

Vibrations