Geometry & MOs

Info

ID:	434747
PubChem CID:	135175624
Reduced:	NSO3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	494.106511
ΔH_f, kcal/mol:	-65.15
Dipole, Da:	1.71
IP(EA), eV:	-9.01(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(difluoromethyl)pyridin-3-yl]-5-[[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC(C(=O)COCCOC1=CC=C(C=C1)C2=CN=CC=C2)S

DOS

IR

Vibrations