Geometry & MOs

Info

ID:	195783
PubChem CID:	78732375
Reduced:	FNSO5C20H20 (1)
Stoich.:	ABCD5E20F20 (1)
Weight, g/mol:	387.169525
ΔH_f, kcal/mol:	-213.74
Dipole, Da:	9.35
IP(EA), eV:	-9.65(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzyltriazol-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1N(C2=CC=CC=C2)C(=O)COC(=O)CC3=CC(=CC=C3)F

DOS

IR

Vibrations