Geometry & MOs

Info

ID:	442831
PubChem CID:	135256495
Reduced:	N5O5C29H35 (1)
Stoich.:	A5B5C29D35 (1)
Weight, g/mol:	413.89986
ΔH_f, kcal/mol:	-142.0
Dipole, Da:	3.61
IP(EA), eV:	-8.68(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-difluoro-3-iodo-7-(trifluoromethyl)dibenzothiophene

Drug info:

PubChemData

Smile

C[C@H](C=C)C(=O)NC1=C(C=CC(=C1)NC(=O)OC)N2C3=CC=CC=C3C(=N2)[C@H](CC=C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations