Geometry & MOs

Info

ID:	32187
PubChem CID:	6435795
Reduced:	SN2O5C11H12 (1)
Stoich.:	AB2C5D11E12 (1)
Weight, g/mol:	250.071859
ΔH_f, kcal/mol:	-144.68
Dipole, Da:	5.46
IP(EA), eV:	-10.01(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-[(E)-3-phosphonoprop-2-enyl]piperazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)/C=C/C(=O)O

DOS

IR

Vibrations