Geometry & MOs

Info

ID:	54827
PubChem CID:	17389361
Reduced:	SN4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	589.94695
ΔH_f, kcal/mol:	78.94
Dipole, Da:	4.61
IP(EA), eV:	-8.16(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)C)C4=CC=CC=C4

DOS

IR

Vibrations