Geometry & MOs

Info

ID:	54828
PubChem CID:	17389363
Reduced:	BrSCl2N2O4H17C25 (1)
Stoich.:	ABC2D2E4F17G25 (1)
Weight, g/mol:	570.00157
ΔH_f, kcal/mol:	-58.89
Dipole, Da:	2.74
IP(EA), eV:	-9.15(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)Br)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations