Geometry & MOs

Info

ID:	199918
PubChem CID:	79317350
Reduced:	SO2N3C12H25 (1)
Stoich.:	AB2C3D12E25 (1)
Weight, g/mol:	256.092003
ΔH_f, kcal/mol:	-71.99
Dipole, Da:	4.82
IP(EA), eV:	-8.93(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[3-(carbamoylamino)-3-oxopropyl]tetrazole-5-carboxylate

Drug info:

PubChemData

Smile

CN1CCCC1CN(C)S(=O)(=O)CCNC2CC2

DOS

IR

Vibrations