Geometry & MOs

Info

ID:	313001
PubChem CID:	126610680
Reduced:	SO2N6H14C15 (1)
Stoich.:	AB2C6D14E15 (1)
Weight, g/mol:	484.10142
ΔH_f, kcal/mol:	99.72
Dipole, Da:	5.37
IP(EA), eV:	-8.87(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E,4Z)-6-(3-bromobenzoyl)hepta-2,4,6-trien-2-yl] dibutyl phosphate

Drug info:

PubChemData

Smile

CC(=O)CSC1=NNC(=N1)C2=CC(=CC(=C2)C3=CC=NN3C)N=O

DOS

IR

Vibrations