Geometry & MOs

Info

ID:	131752
PubChem CID:	51258612
Reduced:	SN5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	347.141596
ΔH_f, kcal/mol:	112.57
Dipole, Da:	5.56
IP(EA), eV:	-9.44(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-phenylmethoxyacetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=NN=N2)SCC3=CC(=CC=C3)C#N

DOS

IR

Vibrations