Geometry & MOs

Info

ID:

308853

PubChem CID:

126522931

Reduced:

FON5H22C32 (1)

Stoich.:

ABC5D22E32 (1)

Weight, g/mol:

486.272987

ΔHf, kcal/mol:

145.54

Dipole, Da:

8.79

IP(EA), eV:

 -8.58(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 6-(2-hydroxyethyl)-5-methoxy-3-[(1S,3R)-3-[[(2S)-oxolane-2-carbonyl]amino]cyclohexyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C/5\C=C6C(=CC=NC6=N5)C7=CC(=CC=C7)F

DOS

IR

Vibrations