Geometry & MOs

Info

ID:	277258
PubChem CID:	103827525
Reduced:	N2S2O3C12H20 (1)
Stoich.:	A2B2C3D12E20 (1)
Weight, g/mol:	230.13789
ΔH_f, kcal/mol:	-123.96
Dipole, Da:	7.22
IP(EA), eV:	-9.16(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)butanediamide

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC(=O)C(CCS(=O)(=O)C)N

DOS

IR

Vibrations