Geometry & MOs

Info

ID:

222767

PubChem CID:

85332433

Reduced:

N5O8C24H37 (1)

Stoich.:

A5B8C24D37 (1)

Weight, g/mol:

523.283492

ΔHf, kcal/mol:

-362.69

Dipole, Da:

6.72

IP(EA), eV:

 -8.92(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4a-benzyl-7-[[5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methoxy]-2-prop-1-ynyl-1,3,4,9,10,10a-hexahydrophenanthren-2-ol

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)O)NC(=O)C(CO)N

DOS

IR

Vibrations