Geometry & MOs

Info

ID:	245436
PubChem CID:	99444757
Reduced:	NSO2C10H14 (2)
Stoich.:	ABC2D10E14 (2)
Weight, g/mol:	406.152872
ΔH_f, kcal/mol:	-130.06
Dipole, Da:	7.2
IP(EA), eV:	-8.52(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-cyclopropyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)C1=CC(=CC=C1)OC)C(=O)CCCN(C)S(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations