Geometry & MOs

Info

ID:	149197
PubChem CID:	53788869
Reduced:	SN2O5C9H16 (1)
Stoich.:	AB2C5D9E16 (1)
Weight, g/mol:	252.074621
ΔH_f, kcal/mol:	-169.8
Dipole, Da:	7.42
IP(EA), eV:	-9.88(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(3-nitrophenyl)acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CONC1=NCC(C1)S(=O)(=O)C

DOS

IR

Vibrations