Geometry & MOs

Info

ID:	245439
PubChem CID:	99444800
Reduced:	ClSN3O5C22H26 (1)
Stoich.:	ABC3D5E22F26 (1)
Weight, g/mol:	428.260983
ΔH_f, kcal/mol:	-111.39
Dipole, Da:	8.41
IP(EA), eV:	-9.09(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-methylpropyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(C1=C(C=C(C=C1)C)C)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations