Geometry & MOs

Info

ID:	179213
PubChem CID:	76452121
Reduced:	FOSN3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	480.262422
ΔH_f, kcal/mol:	-38.59
Dipole, Da:	2.05
IP(EA), eV:	-8.94(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,17-tetramethyl-15-(2-phenylethoxy)-13,14-diazatetracyclo[8.7.0.02,6.011,15]heptadeca-3,8,13-trien-5-one

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)C(CC2=CC=C(C=C2)F)N

DOS

IR

Vibrations