Geometry & MOs

Info

ID:	46824
PubChem CID:	10527619
Reduced:	N4O6C23H24 (1)
Stoich.:	A4B6C23D24 (1)
Weight, g/mol:	452.238286
ΔH_f, kcal/mol:	-94.01
Dipole, Da:	15.51
IP(EA), eV:	-8.93(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[(1R,3R,4R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methoxycyclohexyl]-3-hydroxy-2-methylprop-2-en-1-one

Drug info:

PubChemData

Smile

CCN1C(=C(C2=C1C=CC(=C2)OCC(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC)C

DOS

IR

Vibrations