Geometry & MOs

Info

ID:	434789
PubChem CID:	135175710
Reduced:	BrSN2F3O3C29H30 (1)
Stoich.:	ABC2D3E3F29G30 (1)
Weight, g/mol:	475.151904
ΔH_f, kcal/mol:	-209.52
Dipole, Da:	5.22
IP(EA), eV:	-9.73(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-ethylpyrazol-4-yl)-5-[[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CCC1CCC(C1C(=O)C(C(C2=CC=C(C=C2)Br)(F)F)NS(=O)(=O)C3=CN=C(C=C3)C4=CC=C(C=C4)F)CC

DOS

IR

Vibrations