Geometry & MOs

Info

ID:	190006
PubChem CID:	77940145
Reduced:	SN3O4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	448.318875
ΔH_f, kcal/mol:	-161.05
Dipole, Da:	3.08
IP(EA), eV:	-8.0(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(5,7,15-trihydroxy-10,14,16,17-tetramethyl-15-pentacyclo[9.7.0.02,4.05,10.014,18]octadecanyl)propanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)NC3CCC4(CC3)OCCO4)NC(C2)C5=NC(CS5)CC(=O)OC

DOS

IR

Vibrations