Geometry & MOs

Info

ID:	363235
PubChem CID:	127310376
Reduced:	SF3N4O4C13H21 (1)
Stoich.:	AB3C4D4E13F21 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-345.44
Dipole, Da:	1.69
IP(EA), eV:	-9.56(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methylpyrazol-1-yl)methyl]-N-[(2-phenyloxan-3-yl)methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)NC(=O)NC2CCN(C2=O)CC(F)(F)F

DOS

IR

Vibrations