Geometry & MOs

Info

ID:	148341
PubChem CID:	53788003
Reduced:	FO2N7H20C21 (1)
Stoich.:	AB2C7D20E21 (1)
Weight, g/mol:	333.96968
ΔH_f, kcal/mol:	-27.73
Dipole, Da:	3.75
IP(EA), eV:	-9.2(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-bromo-2,6-bis(methylsulfanyl)phenoxy]oxolane

Drug info:

PubChemData

Smile

C1CC(=O)NC1COC2=CC(=CC3=C2N=C(N3)CC4=NC5=C(N4)C=C(C=C5)C(=N)N)F

DOS

IR

Vibrations