Geometry & MOs

Info

ID:	358859
PubChem CID:	127296730
Reduced:	FOSN5C18H22 (1)
Stoich.:	ABCD5E18F22 (1)
Weight, g/mol:	389.16856
ΔH_f, kcal/mol:	-16.25
Dipole, Da:	4.32
IP(EA), eV:	-8.97(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4F

DOS

IR

Vibrations