Geometry & MOs

Info

ID:	161559
PubChem CID:	57391992
Reduced:	SO2F3N3H24C25 (1)
Stoich.:	AB2C3D3E24F25 (1)
Weight, g/mol:	455.220892
ΔH_f, kcal/mol:	-156.84
Dipole, Da:	2.0
IP(EA), eV:	-8.66(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-benzyl-4-(cyclohexanecarbonyl)-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-5,6-dione

Drug info:

PubChemData

Smile

CCN(CC)CCCN1/C(=C/2\C3=C(C=C(C=C3)F)NC2=O)/SC(=CC4=C(C=C(C=C4)F)F)C1=O

DOS

IR

Vibrations