Geometry & MOs

Info

ID:	222018
PubChem CID:	85293416
Reduced:	SO3N5C23H37 (1)
Stoich.:	AB3C5D23E37 (1)
Weight, g/mol:	465.170686
ΔH_f, kcal/mol:	-127.07
Dipole, Da:	3.46
IP(EA), eV:	-9.35(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[2-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-propan-2-ylamino]ethenyl]naphthalene-1,4-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)C3=NC=CS3)N

DOS

IR

Vibrations