Geometry & MOs

Info

ID:	46119
PubChem CID:	10522108
Reduced:	SN2O3C18H30 (1)
Stoich.:	AB2C3D18E30 (1)
Weight, g/mol:	355.129708
ΔH_f, kcal/mol:	-108.49
Dipole, Da:	5.38
IP(EA), eV:	-8.26(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-3-[1-(diethoxyphosphorylmethyl)benzimidazol-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CCCC[C@H](CS(=O)(=O)C1=CC=CC=C1)NN2CCC[C@H]2COC

DOS

IR

Vibrations