Geometry & MOs

Info

ID:	277311
PubChem CID:	103827748
Reduced:	N2S2O3C12H26 (1)
Stoich.:	A2B2C3D12E26 (1)
Weight, g/mol:	261.151098
ΔH_f, kcal/mol:	-162.5
Dipole, Da:	5.64
IP(EA), eV:	-8.62(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-ethyl-2-methylsulfanylbutyl)butanediamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)C(CCS(=O)(=O)C)N)SC

DOS

IR

Vibrations