Geometry & MOs

Info

ID:	390973
PubChem CID:	135001947
Reduced:	SN2O2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	288.172545
ΔH_f, kcal/mol:	19.9
Dipole, Da:	6.74
IP(EA), eV:	-9.22(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cyclohexyl-5-(4-methoxyphenyl)-4,5-dihydro-1,3-dioxepine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N3C=CC=N3

DOS

IR

Vibrations