Geometry & MOs

Info

ID:	158540
PubChem CID:	56464151
Reduced:	ClOSN4C21H25 (1)
Stoich.:	ABCD4E21F25 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	46.57
Dipole, Da:	4.57
IP(EA), eV:	-8.68(-0.54)
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-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NCC(C)N(C)C3CC3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations