Geometry & MOs

Info

ID:	207254
PubChem CID:	80367595
Reduced:	SO2N3C15H23 (1)
Stoich.:	AB2C3D15E23 (1)
Weight, g/mol:	283.103142
ΔH_f, kcal/mol:	-60.2
Dipole, Da:	5.84
IP(EA), eV:	-9.04(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxybutanoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(CC(=O)N(CCC(=S)N)CC1=CN=CC=C1)COC

DOS

IR

Vibrations