Geometry & MOs

Info

ID:	122553
PubChem CID:	50812175
Reduced:	FO2S3N6H15C18 (1)
Stoich.:	AB2C3D6E15F18 (1)
Weight, g/mol:	448.024615
ΔH_f, kcal/mol:	44.26
Dipole, Da:	1.88
IP(EA), eV:	-8.84(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)CCC2=NC(=NO2)CSC3=NC(=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations