Geometry & MOs

Info

ID:	366155
PubChem CID:	127319564
Reduced:	SN3O4C14H23 (1)
Stoich.:	AB3C4D14E23 (1)
Weight, g/mol:	381.127089
ΔH_f, kcal/mol:	-150.64
Dipole, Da:	3.66
IP(EA), eV:	-10.28(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)CCC(=O)NC2CCCS(=O)(=O)C2

DOS

IR

Vibrations