Geometry & MOs

Info

ID:	189273
PubChem CID:	77836287
Reduced:	N5O5C14H17 (1)
Stoich.:	A5B5C14D17 (1)
Weight, g/mol:	466.311451
ΔH_f, kcal/mol:	-135.8
Dipole, Da:	7.3
IP(EA), eV:	-9.79(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[butyl(dimethyl)silyl]oxy-3-ethenyl-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-1-one

Drug info:

PubChemData

Smile

CC(=O)OCC1CC(C1OC(=O)C)N2C=NC3C2=NC(=NC3=O)N

DOS

IR

Vibrations