Geometry & MOs

Info

ID:	34408
PubChem CID:	7891223
Reduced:	FOS2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	404.170454
ΔH_f, kcal/mol:	-0.8
Dipole, Da:	6.62
IP(EA), eV:	-8.71(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC2=NN=C(S2)S[C@H](C)C(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations