Geometry & MOs

Info

ID:	168489
PubChem CID:	74975279
Reduced:	N5C30H31 (1)
Stoich.:	A5B30C31 (1)
Weight, g/mol:	496.137873
ΔH_f, kcal/mol:	124.16
Dipole, Da:	5.34
IP(EA), eV:	-8.5(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,6,13-trihydroxy-3-methyl-4-(trifluoromethylsulfonylmethoxy)trideca-1,7,9,11-tetraenyl]-2,3-dihydropyran-6-one

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C=CN2)NC3=C(C=NC=C3C=CCCN4CCC(CC4)C5=CC=CC=C5)C#N

DOS

IR

Vibrations