Geometry & MOs

Info

ID:	347235
PubChem CID:	127271776
Reduced:	SO2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	372.198383
ΔH_f, kcal/mol:	-65.96
Dipole, Da:	2.4
IP(EA), eV:	-8.56(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCC3(CCSC3)N4CCOCC4

DOS

IR

Vibrations