Geometry & MOs

Info

ID:	302690
PubChem CID:	124391992
Reduced:	SBr2N2O3H16C17 (1)
Stoich.:	AB2C2D3E16F17 (1)
Weight, g/mol:	467.130363
ΔH_f, kcal/mol:	-58.9
Dipole, Da:	1.28
IP(EA), eV:	-8.77(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(E)-[1-(4-ethylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N([C@H]1C3=C(C(=CC(=C3)Br)Br)OC)C=CS2)C

DOS

IR

Vibrations