Geometry & MOs

Info

ID:	158160
PubChem CID:	56463080
Reduced:	SN5O5C23H29 (1)
Stoich.:	AB5C5D23E29 (1)
Weight, g/mol:	414.19032
ΔH_f, kcal/mol:	-115.28
Dipole, Da:	3.35
IP(EA), eV:	-9.62(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)C=C2C(=O)NC(C3=NC(=NO3)C4CC4)C(C)C

DOS

IR

Vibrations