Geometry & MOs

Info

ID:	172923
PubChem CID:	75573440
Reduced:	BrSN3O5C22H24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	400.05349
ΔH_f, kcal/mol:	-107.74
Dipole, Da:	10.32
IP(EA), eV:	-9.18(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(3-bromo-4-butoxy-5-methoxyphenyl)buta-1,3-diene-1,1,3-tricarbonitrile

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Br)C=C2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)C)OCC

DOS

IR

Vibrations