Geometry & MOs

Info

ID:	239697
PubChem CID:	93166911
Reduced:	ClSN3O3C25H34 (1)
Stoich.:	ABC3D3E25F34 (1)
Weight, g/mol:	475.169641
ΔH_f, kcal/mol:	-121.1
Dipole, Da:	4.56
IP(EA), eV:	-9.08(-0.48)
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-prop-2-enylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations