Geometry & MOs

Info

ID:	196436
PubChem CID:	78826309
Reduced:	NF3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	419.090824
ΔH_f, kcal/mol:	-245.22
Dipole, Da:	6.73
IP(EA), eV:	-8.64(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(2-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CC(=O)NCC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations