Geometry & MOs

Info

ID:	130673
PubChem CID:	51091977
Reduced:	OSF3N3C15H16 (1)
Stoich.:	ABC3D3E15F16 (1)
Weight, g/mol:	344.134777
ΔH_f, kcal/mol:	-162.55
Dipole, Da:	4.42
IP(EA), eV:	-9.31(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]methyl]benzoate

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=NC3=CC=CC=C3S2)C(=O)NCC(F)(F)F

DOS

IR

Vibrations