Geometry & MOs

Info

ID:	67684
PubChem CID:	46506965
Reduced:	BrSO2N4H27C30 (1)
Stoich.:	ABC2D4E27F30 (1)
Weight, g/mol:	328.104563
ΔH_f, kcal/mol:	14.81
Dipole, Da:	4.7
IP(EA), eV:	-8.59(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(4-fluoro-3-methylphenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-11-thione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)C3=C(C(=CN3C)C4=CC=CC=C4)N=C2SCC(=O)NC5=CC(=C(C=C5)Br)C

DOS

IR

Vibrations