Geometry & MOs

Info

ID:	444552
PubChem CID:	135262838
Reduced:	BrNPO6C13H25 (1)
Stoich.:	ABCD6E13F25 (1)
Weight, g/mol:	236.079707
ΔH_f, kcal/mol:	-246.11
Dipole, Da:	3.51
IP(EA), eV:	-9.16(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(2E)-2-hydroxyiminoacetyl]amino]-3-methylphenyl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)Br)OC.C(C(CO)(CO)N)O.P

DOS

IR

Vibrations