Geometry & MOs

Info

ID:	214518
PubChem CID:	85083146
Reduced:	S2N6O6C23H24 (1)
Stoich.:	A2B6C6D23E24 (1)
Weight, g/mol:	544.324748
ΔH_f, kcal/mol:	-102.28
Dipole, Da:	9.7
IP(EA), eV:	-9.13(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5,6,7,8,9-octahydroxy-10,24,24-trimethylpentacosa-12,14,18,20-tetraenoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)ON=C(C2=CSC(=N2)N)C(=O)NC3C4COC(=C(N4C3=O)C(=O)O)CSC5=CC=NC=C5

DOS

IR

Vibrations