Geometry & MOs

Info

ID:

239529

PubChem CID:

93166641

Reduced:

ClSN2O5C26H29 (1)

Stoich.:

ABC2D5E26F29 (1)

Weight, g/mol:

516.148571

ΔHf, kcal/mol:

-132.49

Dipole, Da:

10.63

IP(EA), eV:

 -8.54(-0.44)

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]-N-(3-methoxypropyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@@H]2C3=C(CCN2C(=O)CN(CCCOC)C(=O)C4=CC=CO4)SC=C3)Cl

DOS

IR

Vibrations