Geometry & MOs

Info

ID:	237686
PubChem CID:	92720720
Reduced:	FSO2N3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	448.204531
ΔH_f, kcal/mol:	-47.3
Dipole, Da:	2.38
IP(EA), eV:	-9.01(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[5-(2,5-dimethylpyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CNC(=O)C2=CC(=NN2CC3=CC=C(C=C3)F)C4=CC=CS4

DOS

IR

Vibrations