Geometry & MOs

Info

ID:	433113
PubChem CID:	135173250
Reduced:	SN2O4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	479.08445
ΔH_f, kcal/mol:	-149.18
Dipole, Da:	3.71
IP(EA), eV:	-9.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[[(E)-3-amino-2-bromoprop-2-enylidene]amino]phenyl]methoxy]-2-(1,3-dihydroisoindol-2-ylmethyl)pyran-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCN(CC2)C(=O)N3CCC3

DOS

IR

Vibrations