Geometry & MOs

Info

ID:	41523
PubChem CID:	8146119
Reduced:	FON3H18C19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	408.128983
ΔH_f, kcal/mol:	2.96
Dipole, Da:	5.56
IP(EA), eV:	-9.22(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[[5-(4-methoxyanilino)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC1N(CC2=CC=C(C=C2)F)CC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations