Geometry & MOs

Info

ID:	213580
PubChem CID:	81064262
Reduced:	SN2O5C13H16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	217.131408
ΔH_f, kcal/mol:	-126.19
Dipole, Da:	3.23
IP(EA), eV:	-9.61(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethoxypropanoylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations