Geometry & MOs

Info

ID:	283726
PubChem CID:	104002030
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	259.153206
ΔH_f, kcal/mol:	-63.21
Dipole, Da:	3.92
IP(EA), eV:	-9.24(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

C#CCSCCNC(=O)N[C@@H](C1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations