Geometry & MOs

Info

ID:	307116
PubChem CID:	125267684
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	378.240624
ΔH_f, kcal/mol:	-68.28
Dipole, Da:	12.97
IP(EA), eV:	-8.31(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,3S,4S,6S,7S,8S,12S)-4-ethenyl-3-hydroxy-2,4,7,12-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-hydroxyacetate

Drug info:

PubChemData

Smile

CN1CCC2=C3C=CC=CC3=N[C@H]2[C@H]1C4=C(N(C(=O)NC4=O)C5=CC=C(C=C5)OC)O

DOS

IR

Vibrations