Geometry & MOs

Info

ID:	244721
PubChem CID:	99381170
Reduced:	F2N2O2C23H26 (1)
Stoich.:	A2B2C2D23E26 (1)
Weight, g/mol:	363.100125
ΔH_f, kcal/mol:	-167.22
Dipole, Da:	3.47
IP(EA), eV:	-9.59(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NCC(=O)N[C@H](CC2=CC(=CC=C2)F)C3=CC(=CC=C3)F

DOS

IR

Vibrations