Geometry & MOs

Info

ID:	363298
PubChem CID:	127310715
Reduced:	SN2O3C16H28 (1)
Stoich.:	AB2C3D16E28 (1)
Weight, g/mol:	378.245333
ΔH_f, kcal/mol:	-144.47
Dipole, Da:	4.51
IP(EA), eV:	-8.43(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-5-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)C2COCCO2)N3CCSCC3

DOS

IR

Vibrations