Geometry & MOs

Info

ID:	235834
PubChem CID:	92710754
Reduced:	SO2N6C21H36 (1)
Stoich.:	AB2C6D21E36 (1)
Weight, g/mol:	515.247873
ΔH_f, kcal/mol:	-72.0
Dipole, Da:	5.34
IP(EA), eV:	-8.16(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)CCCNC(=O)[C@@H]1CCCN(C1)C2=NN=C(S2)N3CCCC3=O

DOS

IR

Vibrations