Geometry & MOs

Info

ID:	154473
PubChem CID:	56313916
Reduced:	FN2S2O3C19H23 (1)
Stoich.:	AB2C2D3E19F23 (1)
Weight, g/mol:	380.190006
ΔH_f, kcal/mol:	-127.75
Dipole, Da:	6.28
IP(EA), eV:	-9.7(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(2-fluorophenyl)-2-methylpropyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC2)C3=CC=CC=C3F

DOS

IR

Vibrations