Geometry & MOs

Info

ID:

239557

PubChem CID:

93166688

Reduced:

ClFSN2O3C28H30 (1)

Stoich.:

ABCD2E3F28G30 (1)

Weight, g/mol:

516.130813

ΔHf, kcal/mol:

-125.73

Dipole, Da:

3.33

IP(EA), eV:

 -8.93(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-N-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@H]2C3=C(CCN2C(=O)CN(C(=O)C4=CC=C(C=C4)F)C(C)(C)C)SC=C3)Cl

DOS

IR

Vibrations