Geometry & MOs

Info

ID:

239741

PubChem CID:

93166963

Reduced:

ClSN3O4C25H34 (1)

Stoich.:

ABC3D4E25F34 (1)

Weight, g/mol:

507.195855

ΔHf, kcal/mol:

-151.17

Dipole, Da:

10.19

IP(EA), eV:

 -8.55(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(4R)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-(3-methoxypropyl)-3-propan-2-ylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations