Geometry & MOs

Info

ID:	32003
PubChem CID:	3892009
Reduced:	BrN3O4C28H30 (1)
Stoich.:	AB3C4D28E30 (1)
Weight, g/mol:	411.088892
ΔH_f, kcal/mol:	-83.83
Dipole, Da:	5.29
IP(EA), eV:	-8.61(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenoxy]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=NNC(=O)CC(=O)NC2=C(C=C(C=C2)C)C)Br)OCC3=CC=C(C=C3)C

DOS

IR

Vibrations