Geometry & MOs

Info

ID:	310775
PubChem CID:	126587403
Reduced:	SF4O5N7H17C22 (1)
Stoich.:	AB4C5D7E17F22 (1)
Weight, g/mol:	236.0062
ΔH_f, kcal/mol:	-257.59
Dipole, Da:	12.3
IP(EA), eV:	-9.23(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,6R)-6-iodo-1,4-dimethylcyclohexene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C(=NS2)NC(=O)NCCC(=O)N=O)C(=O)N)NC(=O)NC3=C(C=CC(=C3)C(F)(F)F)F

DOS

IR

Vibrations