Geometry & MOs

Info

ID:

239495

PubChem CID:

93166581

Reduced:

ClSN2O3C28H31 (1)

Stoich.:

ABC2D3E28F31 (1)

Weight, g/mol:

514.14932

ΔHf, kcal/mol:

-88.14

Dipole, Da:

4.26

IP(EA), eV:

 -8.86(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-fluoro-N-propan-2-ylbenzamide

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)C=CS3)C(C)C

DOS

IR

Vibrations