Geometry & MOs

Info

ID:	158641
PubChem CID:	56464376
Reduced:	FSN4O4C22H23 (1)
Stoich.:	ABC4D4E22F23 (1)
Weight, g/mol:	401.169919
ΔH_f, kcal/mol:	-84.38
Dipole, Da:	3.48
IP(EA), eV:	-9.03(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]amino]-1-oxopropan-2-yl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations