Geometry & MOs

Info

ID:

239591

PubChem CID:

93166760

Reduced:

ClFSN2O3C28H28 (1)

Stoich.:

ABCD2E3F28G28 (1)

Weight, g/mol:

522.174392

ΔHf, kcal/mol:

-99.98

Dipole, Da:

0.64

IP(EA), eV:

 -8.87(-0.56)

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]-N-(cyclopropylmethyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@H]2C3=C(CCN2C(=O)CN(CC4CC4)C(=O)C5=CC(=CC=C5)F)SC=C3)Cl

DOS

IR

Vibrations