Geometry & MOs

Info

ID:	229569
PubChem CID:	87568051
Reduced:	BrNPF2O4C23H27 (1)
Stoich.:	ABCD2E4F23G27 (1)
Weight, g/mol:	282.106316
ΔH_f, kcal/mol:	-293.92
Dipole, Da:	7.04
IP(EA), eV:	-9.58(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-5-(hydroxymethyl)-5-nitro-1,3-oxazinane-2,2,4,6-tetrol

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=C(C=C(C=C1)CCNC(=O)C2CC2C3=CC=CC=C3)Br)(F)F)O

DOS

IR

Vibrations