Geometry & MOs

Info

ID:	335736
PubChem CID:	127254598
Reduced:	SF3O3N6H7C11 (1)
Stoich.:	AB3C3D6E7F11 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-119.78
Dipole, Da:	4.47
IP(EA), eV:	-9.2(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-(3-oxopiperazine-1-carbonyl)phenyl]-2-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CN(C=C2C1=NNC2=O)N3C(=NNC3=S)C(F)(F)F

DOS

IR

Vibrations