Geometry & MOs

Info

ID:

239710

PubChem CID:

93166926

Reduced:

ClSN3O4C27H32 (1)

Stoich.:

ABC3D4E27F32 (1)

Weight, g/mol:

501.148905

ΔHf, kcal/mol:

-118.32

Dipole, Da:

9.57

IP(EA), eV:

 -8.61(-0.27)

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]-3-ethyl-1-(furan-2-ylmethyl)urea

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)C)SC=C3)Cl

DOS

IR

Vibrations