Geometry & MOs

Info

ID:	48698
PubChem CID:	11110632
Reduced:	PO4N6C12H19 (1)
Stoich.:	AB4C6D12E19 (1)
Weight, g/mol:	342.077324
ΔH_f, kcal/mol:	-147.72
Dipole, Da:	4.66
IP(EA), eV:	-8.53(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methylsulfonyl 4-(4-prop-2-enoyloxybutoxy)benzoate

Drug info:

PubChemData

Smile

C1CC1CNC2=C3C(=NC(=N2)N)N(C=N3)CCOCP(=O)(O)O

DOS

IR

Vibrations