Geometry & MOs

Info

ID:	43931
PubChem CID:	10322121
Reduced:	SN2O3C27H30 (1)
Stoich.:	AB2C3D27E30 (1)
Weight, g/mol:	462.334525
ΔH_f, kcal/mol:	-82.11
Dipole, Da:	3.08
IP(EA), eV:	-8.88(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[(3aS,4R,5R,6aS)-5-(oxan-2-yloxy)-4-[(E,3S)-3-(oxan-2-yloxy)oct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]ethanol

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CC=CC=C1SCC2=CC(=CC=C2)C(=O)NCC3=CC=CC=C3OC

DOS

IR

Vibrations