Geometry & MOs

Info

ID:	44313
PubChem CID:	10502660
Reduced:	N2O3C27H28 (1)
Stoich.:	A2B3C27D28 (1)
Weight, g/mol:	428.199456
ΔH_f, kcal/mol:	-57.71
Dipole, Da:	1.1
IP(EA), eV:	-8.52(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-3,5-bis(prop-2-enyl)phenyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(=CCN1CC[C@]23[C@@H]4C5=C(C[C@]2([C@H]1CC6=C3C(=C(C=C6)O)O4)O)C7=CC=CC=C7N5)C

DOS

IR

Vibrations