Geometry & MOs

Info

ID:	126478
PubChem CID:	50966291
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-10.4
Dipole, Da:	4.49
IP(EA), eV:	-9.27(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(1R)-1-phenylethyl]carbamoyl]anilino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN(C(C)C)C(=O)C2=CSC(=N2)C

DOS

IR

Vibrations