Geometry & MOs

Info

ID:	281533
PubChem CID:	103913999
Reduced:	SN3O4C12H21 (1)
Stoich.:	AB3C4D12E21 (1)
Weight, g/mol:	188.116092
ΔH_f, kcal/mol:	-140.42
Dipole, Da:	6.93
IP(EA), eV:	-9.71(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC1=CC=C(O1)S(=O)(=O)N(C)C

DOS

IR

Vibrations