Geometry & MOs

Info

ID:	148138
PubChem CID:	53787800
Reduced:	N2O3F5H11C15 (1)
Stoich.:	A2B3C5D11E15 (1)
Weight, g/mol:	383.026203
ΔH_f, kcal/mol:	-308.8
Dipole, Da:	4.16
IP(EA), eV:	-9.46(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-[3,4-dichloro-2-[(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)methyl]phenyl]propane-1,3-dione

Drug info:

PubChemData

Smile

CNC1=C2C(=O)C=C(N(C2=C(C(=C1F)F)C(F)(F)F)C3CC3)C(=O)O

DOS

IR

Vibrations