Geometry & MOs

Info

ID:	283724
PubChem CID:	104001774
Reduced:	N2O3C10H18 (1)
Stoich.:	A2B3C10D18 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	-138.16
Dipole, Da:	6.2
IP(EA), eV:	-10.1(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylsulfanylpropan-2-ylcarbamoylamino)-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)NC(=O)NCCCC1CC1

DOS

IR

Vibrations