Geometry & MOs

Info

ID:	434802
PubChem CID:	135175731
Reduced:	BrOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	556.098839
ΔH_f, kcal/mol:	-46.09
Dipole, Da:	2.37
IP(EA), eV:	-9.45(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-chloro-2-[6-(difluoromethyl)pyridin-3-yl]-5-[[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1CCC(C1)OCCC2=CC=C(C=C2)Br

DOS

IR

Vibrations