Geometry & MOs

Info

ID:	431499
PubChem CID:	135171580
Reduced:	ClF2O2H15C20 (1)
Stoich.:	AB2C2D15E20 (1)
Weight, g/mol:	461.078775
ΔH_f, kcal/mol:	-109.6
Dipole, Da:	4.49
IP(EA), eV:	-8.86(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[5-chloro-2-(trifluoromethoxy)phenyl]sulfanylamino]-2-methoxypyridin-3-yl]-(3-methylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=C(C=C(C(=C2)F)C3=CC=CC=C3OC)F

DOS

IR

Vibrations