Geometry & MOs

Info

ID:	46191
PubChem CID:	10522948
Reduced:	ON3C9H17 (2)
Stoich.:	AB3C9D17 (2)
Weight, g/mol:	366.269584
ΔH_f, kcal/mol:	-104.47
Dipole, Da:	3.48
IP(EA), eV:	-9.26(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(3aS,5R,6R,6aS)-5-hydroxy-6-[(E,3S)-3-hydroxyoct-1-enyl]-5-tritio-3a,4,6,6a-tetrahydro-1H-pentalen-2-yl]pentanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](CN[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC1=CN=CN1)N

DOS

IR

Vibrations