Geometry & MOs

Info

ID:	168461
PubChem CID:	74971488
Reduced:	SN2O5H14C19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	510.407296
ΔH_f, kcal/mol:	-79.71
Dipole, Da:	5.42
IP(EA), eV:	-9.73(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[17-(1-hydroxyethyl)-6,10,13-trimethyl-5-(6-methylheptan-2-yl)-13-tricyclo[13.2.2.02,6]nonadeca-1(17),9,15,18-tetraenyl] acetate

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1(=O)=O)C(=CC3=CC=CC=N3)C2=O)C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations