Geometry & MOs

Info

ID:	122552
PubChem CID:	50811943
Reduced:	ClFSO3N4H18C22 (1)
Stoich.:	ABCD3E4F18G22 (1)
Weight, g/mol:	462.040265
ΔH_f, kcal/mol:	-116.88
Dipole, Da:	7.17
IP(EA), eV:	-8.76(-1.32)
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-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)C2CC(=O)NC3=C2C(=O)N=C(N3)SCC4=CC=C(C=C4)F

DOS

IR

Vibrations