Geometry & MOs

Info

ID:	38734
PubChem CID:	8137839
Reduced:	FSN3O4C17H22 (1)
Stoich.:	ABC3D4E17F22 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-180.14
Dipole, Da:	2.6
IP(EA), eV:	-9.75(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopropylamino)-2-oxoethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCC(=O)NC3CC3

DOS

IR

Vibrations