Geometry & MOs

Info

ID:	158185
PubChem CID:	56463120
Reduced:	BrSN4O4C18H23 (1)
Stoich.:	ABC4D4E18F23 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	-56.8
Dipole, Da:	3.98
IP(EA), eV:	-9.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3=CC(=C(C=C3)Br)S(=O)(=O)N(C)C

DOS

IR

Vibrations