Geometry & MOs

Info

ID:	431720
PubChem CID:	135171816
Reduced:	BrOSF3N4C19H24 (1)
Stoich.:	ABCD3E4F19G24 (1)
Weight, g/mol:	521.170845
ΔH_f, kcal/mol:	-152.05
Dipole, Da:	7.38
IP(EA), eV:	-9.21(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[2-methylpropyl(oxan-4-yl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC(CC1)O)C2=C(C=C(C=C2)Br)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations