Geometry & MOs

Info

ID:	239662
PubChem CID:	93166865
Reduced:	ClSN3O4C24H32 (1)
Stoich.:	ABC3D4E24F32 (1)
Weight, g/mol:	493.180205
ΔH_f, kcal/mol:	-145.6
Dipole, Da:	8.3
IP(EA), eV:	-9.12(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-(3-methoxypropyl)-3-propan-2-ylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations