Geometry & MOs

Info

ID:	43014
PubChem CID:	10317769
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	382.271924
ΔH_f, kcal/mol:	-53.14
Dipole, Da:	4.15
IP(EA), eV:	-8.51(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2R,3aS,4R,5R,6aS)-5-hydroxy-4-[(E,3S,5R)-3-hydroxy-5-methylnon-1-enyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]ethoxy]acetic acid

Drug info:

PubChemData

Smile

CN(C)CCCNCC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations