Geometry & MOs

Info

ID:	216063
PubChem CID:	85085654
Reduced:	NSO2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	221.083413
ΔH_f, kcal/mol:	-30.26
Dipole, Da:	2.26
IP(EA), eV:	-8.96(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[2-(hydroxyamino)-2-oxoethyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=CC(C2=O)CS

DOS

IR

Vibrations