Geometry & MOs

Info

ID:	407270
PubChem CID:	135079715
Reduced:	BrNSO4H18C21 (1)
Stoich.:	ABCD4E18F21 (1)
Weight, g/mol:	382.097011
ΔH_f, kcal/mol:	-82.59
Dipole, Da:	7.41
IP(EA), eV:	-9.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-dimethoxyphosphoryl-2-naphthalen-1-ylethenyl] benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC(C2=CC=CC=C2Br)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations