Geometry & MOs

Info

ID:	239629
PubChem CID:	93166816
Reduced:	ClSN3O4C24H32 (1)
Stoich.:	ABC3D4E24F32 (1)
Weight, g/mol:	527.164555
ΔH_f, kcal/mol:	-153.92
Dipole, Da:	6.25
IP(EA), eV:	-8.8(-0.24)
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-(2-methoxyethyl)-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations