Geometry & MOs

Info

ID:	261589
PubChem CID:	103241536
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	314.130028
ΔH_f, kcal/mol:	-63.73
Dipole, Da:	6.25
IP(EA), eV:	-9.02(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[ethyl(methylsulfonyl)amino]propylamino]-2-phenylacetic acid

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=O)N1)OC2=CC3=C(CCCC3)C=C2

DOS

IR

Vibrations