Geometry & MOs

Info

ID:	199506
PubChem CID:	79256955
Reduced:	SN2O3C10H18 (1)
Stoich.:	AB2C3D10E18 (1)
Weight, g/mol:	284.09277
ΔH_f, kcal/mol:	-142.28
Dipole, Da:	6.25
IP(EA), eV:	-9.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(tert-butylamino)acetyl]amino]-2-chlorobenzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=O)N1CSC[C@H]1C(=O)O

DOS

IR

Vibrations