Geometry & MOs

Info

ID:

170277

PubChem CID:

75214659

Reduced:

AuO6N12C30H61 (1)

Stoich.:

AB6C12D30E61 (1)

Weight, g/mol:

580.15969

ΔHf, kcal/mol:

-198.16

Dipole, Da:

3.42

IP(EA), eV:

 -7.95(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-(1-oxidopyridin-1-ium-4-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one

Drug info:

PubChemData

Smile

C(CCN)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)[O-])N.[Au+]

DOS

IR

Vibrations