Geometry & MOs

Info

ID:	252728
PubChem CID:	103113619
Reduced:	SO3N5C12H15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	218.126657
ΔH_f, kcal/mol:	-43.18
Dipole, Da:	3.76
IP(EA), eV:	-9.34(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxyethyl N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCC1=C(N=NN1CC(=O)NC2=NC=CS2)C(=O)OC

DOS

IR

Vibrations