Geometry & MOs

Info

ID:	283721
PubChem CID:	104001372
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	-127.95
Dipole, Da:	3.65
IP(EA), eV:	-9.88(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-methylsulfanylbutylcarbamoylamino)-2-phenylacetic acid

Drug info:

PubChemData

Smile

CC(C1CCCC1)NC(=O)N[C@@H](C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations