Geometry & MOs

Info

ID:

239647

PubChem CID:

93166844

Reduced:

ClSN3O3C28H32 (1)

Stoich.:

ABC3D3E28F32 (1)

Weight, g/mol:

525.185291

ΔHf, kcal/mol:

-83.08

Dipole, Da:

5.77

IP(EA), eV:

 -8.71(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(2R)-butan-2-yl]-1-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CC[C@H](C)N(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)NC4=CC=C(C=C4)C

DOS

IR

Vibrations