Geometry & MOs

Info

ID:	234574
PubChem CID:	92298720
Reduced:	N2S2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	340.139862
ΔH_f, kcal/mol:	-63.75
Dipole, Da:	7.71
IP(EA), eV:	-8.75(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2,3-dimethylphenyl)-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2C(=O)/C(=C\C3=CC=CS3)/SC2=O)C

DOS

IR

Vibrations