Geometry & MOs

Info

ID:	245138
PubChem CID:	99437691
Reduced:	SF2N3O3H15C19 (1)
Stoich.:	AB2C3D3E15F19 (1)
Weight, g/mol:	406.17871
ΔH_f, kcal/mol:	-131.66
Dipole, Da:	5.04
IP(EA), eV:	-9.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[4-[3-(5-methylsulfanyltetrazol-1-yl)anilino]-4-oxobutyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)NC2=NC=C(C=C2)F)NS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations