Geometry & MOs

Info

ID:	180743
PubChem CID:	76679289
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	344.140593
ΔH_f, kcal/mol:	18.66
Dipole, Da:	3.5
IP(EA), eV:	-8.43(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[amino-(3-methyl-1-oxo-1-phenylmethoxybutan-2-yl)amino]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1N(C)C2=C3C=CNC3=NC=C2)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations