Geometry & MOs

Info

ID:	163770
PubChem CID:	74374203
Reduced:	NSO4C11H17 (1)
Stoich.:	ABC4D11E17 (1)
Weight, g/mol:	432.078561
ΔH_f, kcal/mol:	-151.77
Dipole, Da:	3.82
IP(EA), eV:	-9.52(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C1CC1CC2=NC3C(C(C(OC3S2)CO)O)O

DOS

IR

Vibrations