Geometry & MOs

Info

ID:	70024
PubChem CID:	47206860
Reduced:	SO3N5C11H21 (1)
Stoich.:	AB3C5D11E21 (1)
Weight, g/mol:	303.136511
ΔH_f, kcal/mol:	-84.75
Dipole, Da:	5.52
IP(EA), eV:	-9.91(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2-[(1-propyltetrazol-5-yl)methylsulfonyl]acetamide

Drug info:

PubChemData

Smile

CCCCN1C(=NN=N1)CS(=O)(=O)CCC(=O)NCC

DOS

IR

Vibrations