Geometry & MOs

Info

ID:	189197
PubChem CID:	77825749
Reduced:	O2N5C22H23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	353.193712
ΔH_f, kcal/mol:	25.82
Dipole, Da:	5.38
IP(EA), eV:	-8.86(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[3-amino-4-(2-fluorophenyl)butyl]pyrrolidin-2-yl]methyl]cyclopropanesulfinamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2C(NC3=CC=CC=C23)C4CC(NNC4=O)C5=CC(=CC=C5)O

DOS

IR

Vibrations