Geometry & MOs

Info

ID:	81718
PubChem CID:	49855045
Reduced:	BrSF2O3N4H17C26 (1)
Stoich.:	ABC2D3E4F17G26 (1)
Weight, g/mol:	383.199762
ΔH_f, kcal/mol:	-76.22
Dipole, Da:	6.43
IP(EA), eV:	-9.24(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-N-[(E)-[3-[(E)-2-(2-methylphenyl)ethenyl]phenyl]methylideneamino]benzamide

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)S(=O)(=O)C5=CC(=CC(=C5)F)F)Br

DOS

IR

Vibrations