Geometry & MOs

Info

ID:	336851
PubChem CID:	127255858
Reduced:	BrNOC16H20 (2)
Stoich.:	ABCD16E20 (2)
Weight, g/mol:	341.08114
ΔH_f, kcal/mol:	-71.53
Dipole, Da:	0.91
IP(EA), eV:	-9.01(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetate;hexahydrate

Drug info:

PubChemData

Smile

CCCCCCCCN1C2=C(C=CC(=C2)Br)/C(=C\3/C4=C(C=C(C=C4)Br)N(C3=O)CCCCCCCC)/C1=O

DOS

IR

Vibrations