Geometry & MOs

Info

ID:	252631
PubChem CID:	103112805
Reduced:	N3O3C14H25 (1)
Stoich.:	A3B3C14D25 (1)
Weight, g/mol:	297.096085
ΔH_f, kcal/mol:	-125.54
Dipole, Da:	5.33
IP(EA), eV:	-10.04(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-hydroxy-2-[(2-methyl-3-nitrophenyl)methylcarbamoylamino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(N=NN1CCC(C)(C)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations