Geometry & MOs

Info

ID:	219470
PubChem CID:	85148720
Reduced:	N2S2O6H24C25 (1)
Stoich.:	A2B2C6D24E25 (1)
Weight, g/mol:	512.279884
ΔH_f, kcal/mol:	-157.83
Dipole, Da:	5.2
IP(EA), eV:	-8.86(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-(4-methoxyphenyl)-N-[1-[3-(3-methoxypropylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(C(C2=O)SCC(C3=CSC=C3)O)C4=CC=C(C=C4)OCC(=O)NCC(=O)O

DOS

IR

Vibrations