Geometry & MOs

Info

ID:	431992
PubChem CID:	135172120
Reduced:	SO2N4C26H32 (1)
Stoich.:	AB2C4D26E32 (1)
Weight, g/mol:	484.247441
ΔH_f, kcal/mol:	-5.04
Dipole, Da:	5.63
IP(EA), eV:	-8.68(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,3-benzoxazol-2-ylamino)-4-[cyclohexyl(2-methylpropyl)amino]phenyl]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C2=CC=CC=C2C(=O)O)NC3=NC(=NS3)C4CC4

DOS

IR

Vibrations