Geometry & MOs

Info

ID:

239446

PubChem CID:

93166505

Reduced:

ClSN2O3C29H33 (1)

Stoich.:

ABC2D3E29F33 (1)

Weight, g/mol:

524.190042

ΔHf, kcal/mol:

-84.92

Dipole, Da:

2.94

IP(EA), eV:

 -9.15(-0.4)

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]-2-methyl-N-(3-methylbutyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N(CCC(C)C)CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3

DOS

IR

Vibrations