Geometry & MOs

Info

ID:	197391
PubChem CID:	78961889
Reduced:	NO5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-171.79
Dipole, Da:	8.53
IP(EA), eV:	-9.3(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-formamido-3-(4-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)[C@H](CC(=O)O)NC=O

DOS

IR

Vibrations