Geometry & MOs

Info

ID:	304593
PubChem CID:	124756421
Reduced:	FO3N6C16H21 (1)
Stoich.:	AB3C6D16E21 (1)
Weight, g/mol:	367.124901
ΔH_f, kcal/mol:	-67.99
Dipole, Da:	5.45
IP(EA), eV:	-9.05(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

COCCN1C(=NN=N1)[C@@H]2CN(CCO2)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations