Geometry & MOs

Info

ID:	158663
PubChem CID:	56464542
Reduced:	SN4O4C22H26 (1)
Stoich.:	AB4C4D22E26 (1)
Weight, g/mol:	405.145534
ΔH_f, kcal/mol:	-39.28
Dipole, Da:	5.53
IP(EA), eV:	-8.61(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-4,5-dimethoxyphenyl)-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)CC3=CSC(=N3)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations