Geometry & MOs

Info

ID:	314647
PubChem CID:	126622546
Reduced:	ClSF2O3N8H27C31 (1)
Stoich.:	ABC2D3E8F27G31 (1)
Weight, g/mol:	250.148141
ΔH_f, kcal/mol:	-34.41
Dipole, Da:	7.74
IP(EA), eV:	-9.2(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=CN(N=N2)CC3=CC4=C(S3)C(=NN4CC(=O)N5C[C@@H](C[C@H]5C(=O)NC6=CC=CC(=C6F)C7=CC=CC=C7Cl)F)C(=O)N

DOS

IR

Vibrations