Geometry & MOs

Info

ID:	161983
PubChem CID:	57393236
Reduced:	FO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	754.346546
ΔH_f, kcal/mol:	-31.65
Dipole, Da:	7.97
IP(EA), eV:	-8.06(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[(1R,9S,10S)-4,12-dimethoxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-3-yl] pentanedioate

Drug info:

PubChemData

Smile

COC1=C/C(=C\2/C=C(N=C(N2)N)C3=CC=C(C=C3)F)/C(=O)C=C1

DOS

IR

Vibrations