Geometry & MOs

Info

ID:	239649
PubChem CID:	93166847
Reduced:	ClSN3O3C24H32 (1)
Stoich.:	ABC3D3E24F32 (1)
Weight, g/mol:	475.169641
ΔH_f, kcal/mol:	-112.9
Dipole, Da:	5.1
IP(EA), eV:	-8.92(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations