Geometry & MOs

Info

ID:

239238

PubChem CID:

93166178

Reduced:

ClSN2O3C27H29 (1)

Stoich.:

ABC2D3E27F29 (1)

Weight, g/mol:

446.143092

ΔHf, kcal/mol:

-59.44

Dipole, Da:

5.78

IP(EA), eV:

 -8.88(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N(CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3)C(C)C

DOS

IR

Vibrations