Geometry & MOs

Info

ID:	239703
PubChem CID:	93166918
Reduced:	ClSN3O3C23H28 (1)
Stoich.:	ABC3D3E23F28 (1)
Weight, g/mol:	505.216591
ΔH_f, kcal/mol:	-75.46
Dipole, Da:	5.53
IP(EA), eV:	-8.84(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-1-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-1-(2-methylpropyl)urea

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations