Geometry & MOs

Info

ID:

239713

PubChem CID:

93166929

Reduced:

ClSN3O4C26H30 (1)

Stoich.:

ABC3D4E26F30 (1)

Weight, g/mol:

515.164555

ΔHf, kcal/mol:

-107.9

Dipole, Da:

4.86

IP(EA), eV:

 -8.62(-0.17)

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-(furan-2-ylmethyl)-3-propan-2-ylurea

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC[C@@H]2C3=C(CCN2C(=O)CN(CC4=CC=CO4)C(=O)NC(C)C)SC=C3)Cl

DOS

IR

Vibrations