Geometry & MOs

Info

ID:

239618

PubChem CID:

93166801

Reduced:

ClSN2O4C28H29 (1)

Stoich.:

ABC2D4E28F29 (1)

Weight, g/mol:

524.153656

ΔHf, kcal/mol:

-89.26

Dipole, Da:

4.9

IP(EA), eV:

 -8.77(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methoxy-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations