Geometry & MOs

Info

ID:	158556
PubChem CID:	56464171
Reduced:	N2S2O5C18H28 (1)
Stoich.:	A2B2C5D18E28 (1)
Weight, g/mol:	410.144633
ΔH_f, kcal/mol:	-230.31
Dipole, Da:	9.71
IP(EA), eV:	-9.33(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)C1CCCN1S(=O)(=O)C2=C(C=C(C=C2C)C)C

DOS

IR

Vibrations