Geometry & MOs

Info

ID:	42986
PubChem CID:	10317523
Reduced:	N2O4C21H34 (1)
Stoich.:	A2B4C21D34 (1)
Weight, g/mol:	378.204648
ΔH_f, kcal/mol:	-165.28
Dipole, Da:	3.57
IP(EA), eV:	-9.5(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(1R,2R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-oxo-2-(3-trimethylsilylprop-2-ynyl)cyclopentyl]prop-2-enal

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCC1CCC2(CC1)OC3(C4CC5CC(C4)CC3C5)OO2)N

DOS

IR

Vibrations