Geometry & MOs

Info

ID:	239764
PubChem CID:	93166995
Reduced:	ClSN3O3C23H28 (1)
Stoich.:	ABC3D3E23F28 (1)
Weight, g/mol:	461.153991
ΔH_f, kcal/mol:	-82.08
Dipole, Da:	5.94
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-ethyl-1-prop-2-enylurea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations