Geometry & MOs

Info

ID:

239388

PubChem CID:

93166414

Reduced:

ClSN2O3C26H35 (1)

Stoich.:

ABC2D3E26F35 (1)

Weight, g/mol:

490.205692

ΔHf, kcal/mol:

-122.49

Dipole, Da:

6.76

IP(EA), eV:

 -8.94(-0.42)

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]-3-methyl-N-[(2R)-2-methylbutyl]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations