Geometry & MOs

Info

ID:	131760
PubChem CID:	51259165
Reduced:	SO3N6C14H22 (1)
Stoich.:	AB3C6D14E22 (1)
Weight, g/mol:	385.077552
ΔH_f, kcal/mol:	-81.58
Dipole, Da:	9.33
IP(EA), eV:	-9.34(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)NC(=O)CSC2=NN=NN2CC3CCCO3

DOS

IR

Vibrations