Geometry & MOs

Info

ID:	238003
PubChem CID:	92728774
Reduced:	S2O4N5C19H21 (1)
Stoich.:	A2B4C5D19E21 (1)
Weight, g/mol:	436.087512
ΔH_f, kcal/mol:	-40.26
Dipole, Da:	7.25
IP(EA), eV:	-8.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-[3-[4-(methanesulfonamido)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)C3CC3)S(=O)(=O)N[C@@H](C)C(=O)NC4=NC(=CS4)C

DOS

IR

Vibrations