Geometry & MOs

Info

ID:	55911
PubChem CID:	17397355
Reduced:	FNS2O3C14H18 (1)
Stoich.:	ABC2D3E14F18 (1)
Weight, g/mol:	322.189257
ΔH_f, kcal/mol:	-170.31
Dipole, Da:	6.51
IP(EA), eV:	-9.21(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-(2,6-dimethylmorpholin-4-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCS(=O)(=O)C1)SCC2=CC=C(C=C2)F

DOS

IR

Vibrations