Geometry & MOs

Info

ID:	213408
PubChem CID:	81063620
Reduced:	N3O5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	322.119858
ΔH_f, kcal/mol:	-182.57
Dipole, Da:	3.39
IP(EA), eV:	-9.74(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(3-morpholin-4-ylsulfonylpropanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=NN(C(=O)C=C1)CCOC

DOS

IR

Vibrations