Geometry & MOs

Info

ID:

239362

PubChem CID:

93166365

Reduced:

ClFSN2O3C27H28 (1)

Stoich.:

ABCD2E3F27G28 (1)

Weight, g/mol:

488.190042

ΔHf, kcal/mol:

-116.15

Dipole, Da:

2.8

IP(EA), eV:

 -9.03(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations