Geometry & MOs

Info

ID:	366156
PubChem CID:	127319565
Reduced:	FSO3N5C16H20 (1)
Stoich.:	ABC3D5E16F20 (1)
Weight, g/mol:	381.127089
ΔH_f, kcal/mol:	-93.06
Dipole, Da:	10.8
IP(EA), eV:	-9.61(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C(CC2=CC=C(C=C2)F)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations