Geometry & MOs

Info

ID:	271356
PubChem CID:	103662991
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	345.103479
ΔH_f, kcal/mol:	-73.5
Dipole, Da:	8.57
IP(EA), eV:	-9.2(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(4-methylsulfanylphenyl)-3-(phenylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)CCNCC1=CC=NC=C1

DOS

IR

Vibrations