Geometry & MOs

Info

ID:	186812
PubChem CID:	77489466
Reduced:	ClSO2F3N3H15C17 (1)
Stoich.:	ABC2D3E3F15G17 (1)
Weight, g/mol:	374.050586
ΔH_f, kcal/mol:	-202.25
Dipole, Da:	4.46
IP(EA), eV:	-8.85(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-chloro-3-(2H-tetrazol-5-yl)phenyl]-1-methyl-6-(trifluoromethyl)-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=C(C=CC(=C2)N3C(=O)CC(N(C3=O)C)C(F)(F)F)Cl)C

DOS

IR

Vibrations