Geometry & MOs

Info

ID:	58381
PubChem CID:	24698109
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	237.078327
ΔH_f, kcal/mol:	-6.66
Dipole, Da:	2.89
IP(EA), eV:	-8.69(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-amino-2-oxoethyl)-4-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)NC2=CC=CC(=C2)C(=S)N

DOS

IR

Vibrations