Geometry & MOs

Info

ID:	122511
PubChem CID:	50809865
Reduced:	FSO3N5H18C21 (1)
Stoich.:	ABC3D5E18F21 (1)
Weight, g/mol:	429.104165
ΔH_f, kcal/mol:	-10.6
Dipole, Da:	5.33
IP(EA), eV:	-9.07(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[3-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)SCC3=NOC(=N3)CCC(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations