Geometry & MOs

Info

ID:	239656
PubChem CID:	93166858
Reduced:	ClSN3O3C27H28 (1)
Stoich.:	ABC3D3E27F28 (1)
Weight, g/mol:	461.153991
ΔH_f, kcal/mol:	-41.39
Dipole, Da:	4.58
IP(EA), eV:	-8.55(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-cyclopropyl-3-propylurea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)N(CC(=O)N2CCC3=C([C@H]2COC4=CC=C(C=C4)Cl)C=CS3)C5CC5

DOS

IR

Vibrations