Geometry & MOs

Info

ID:	363056
PubChem CID:	127310087
Reduced:	NSO3C20H29 (1)
Stoich.:	ABC3D20E29 (1)
Weight, g/mol:	351.140591
ΔH_f, kcal/mol:	-146.94
Dipole, Da:	6.39
IP(EA), eV:	-9.29(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-morpholin-4-yl-4-oxo-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1(CCC(C2=C1C=CC(=C2)C(=O)N3CCCS(=O)(=O)CC3)(C)C)C

DOS

IR

Vibrations