Geometry & MOs

Info

ID:	321526
PubChem CID:	126666522
Reduced:	O2N5H29C31 (1)
Stoich.:	A2B5C29D31 (1)
Weight, g/mol:	582.155968
ΔH_f, kcal/mol:	74.38
Dipole, Da:	9.48
IP(EA), eV:	-8.08(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenyl]sulfanylphenyl]peroxycarbonyl-2-methylbut-3-enyl] prop-2-enoate

Drug info:

PubChemData

Smile

CCC\1=CC(=O)C=C/C1=C\2/C=C3C(=CNN3)C(=N2)N4CCC5=C(C4)C=CC=C5C(=O)NCC6=CC=CC=C6

DOS

IR

Vibrations