Geometry & MOs

Info

ID:	229450
PubChem CID:	87567691
Reduced:	NSO5C14H29 (1)
Stoich.:	ABC5D14E29 (1)
Weight, g/mol:	371.99376
ΔH_f, kcal/mol:	-232.92
Dipole, Da:	14.35
IP(EA), eV:	-9.75(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-bromo-4-[diethoxyphosphoryl(difluoro)methyl]phenyl]methanol

Drug info:

PubChemData

Smile

CCC(C)[N+]1(CCC(=O)CC1)C(C)CC.COS(=O)(=O)[O-]

DOS

IR

Vibrations