Geometry & MOs

Info

ID:	291774
PubChem CID:	113486681
Reduced:	ClSO2N4C10H17 (1)
Stoich.:	ABC2D4E10F17 (1)
Weight, g/mol:	257.167417
ΔH_f, kcal/mol:	-47.06
Dipole, Da:	2.98
IP(EA), eV:	-8.57(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[1-(4-methylsulfanylbutyl)tetrazol-5-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC(C)OC1=NC(=NC(=N1)NC(C)CS(=O)C)Cl

DOS

IR

Vibrations