Geometry & MOs

Info

ID:	158348
PubChem CID:	56463464
Reduced:	SN3O6C21H25 (1)
Stoich.:	AB3C6D21E25 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-208.92
Dipole, Da:	7.51
IP(EA), eV:	-8.71(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations