Geometry & MOs

Info

ID:	186429
PubChem CID:	77431307
Reduced:	SO3N4C26H36 (1)
Stoich.:	AB3C4D26E36 (1)
Weight, g/mol:	440.202382
ΔH_f, kcal/mol:	-82.18
Dipole, Da:	8.44
IP(EA), eV:	-8.87(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-[[4-fluoro-2-(3-fluoropyridin-2-yl)-2-methylpentyl]amino]-4-methylpyrimidin-5-yl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)NC2CCC3C(C2)C(NN3)C4=CC(=CC(=C4)CN(C)C)S(=O)(=O)C

DOS

IR

Vibrations