Geometry & MOs

Info

ID:	239699
PubChem CID:	93166914
Reduced:	ClSN3O3C24H30 (1)
Stoich.:	ABC3D3E24F30 (1)
Weight, g/mol:	447.138341
ΔH_f, kcal/mol:	-85.1
Dipole, Da:	2.8
IP(EA), eV:	-9.09(-0.34)
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]-3-ethyl-1-prop-2-enylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations