Geometry & MOs

Info

ID:	194141
PubChem CID:	78490554
Reduced:	FSO3N4C17H19 (1)
Stoich.:	ABC3D4E17F19 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-110.97
Dipole, Da:	3.49
IP(EA), eV:	-9.16(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(butan-2-ylamino)-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

CCC(=O)NC1C(C(=O)NC(N1)SCC#C)NC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations