Geometry & MOs

Info

ID:	239665
PubChem CID:	93166868
Reduced:	ClSN3O4C24H32 (1)
Stoich.:	ABC3D4E24F32 (1)
Weight, g/mol:	477.185291
ΔH_f, kcal/mol:	-139.03
Dipole, Da:	3.79
IP(EA), eV:	-8.88(-0.27)
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-propylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations