Geometry & MOs

Info

ID:	278028
PubChem CID:	103832837
Reduced:	FSN2O2C14H21 (1)
Stoich.:	ABC2D2E14F21 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-98.45
Dipole, Da:	3.94
IP(EA), eV:	-9.3(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-methyl-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine

Drug info:

PubChemData

Smile

CS(=O)(=O)NCCCNC(C1CC1)C2=CC=C(C=C2)F

DOS

IR

Vibrations