Geometry & MOs

Info

ID:	358861
PubChem CID:	127296732
Reduced:	FOSN4C18H21 (1)
Stoich.:	ABCD4E18F21 (1)
Weight, g/mol:	385.193632
ΔH_f, kcal/mol:	-26.45
Dipole, Da:	8.11
IP(EA), eV:	-9.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopentyl-N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2C(=O)NC3=NN=C(S3)CC4=CC=CC=C4F

DOS

IR

Vibrations