Geometry & MOs

Info

ID:

239577

PubChem CID:

93166732

Reduced:

ClSN2O3C26H33 (1)

Stoich.:

ABC2D3E26F33 (1)

Weight, g/mol:

516.221342

ΔHf, kcal/mol:

-91.87

Dipole, Da:

5.35

IP(EA), eV:

 -9.13(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)CN(CC(=O)N1CCC2=C([C@H]1COC3=CC(=C(C=C3)Cl)C)C=CS2)C(=O)C4CC4

DOS

IR

Vibrations