Geometry & MOs

Info

ID:	432143
PubChem CID:	135172275
Reduced:	SF3O3N5C24H26 (1)
Stoich.:	AB3C3D5E24F26 (1)
Weight, g/mol:	485.231456
ΔH_f, kcal/mol:	-186.52
Dipole, Da:	4.58
IP(EA), eV:	-9.21(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1,3-benzoxazol-2-ylamino)-4-[cyclohexyl(2-methoxyethyl)amino]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C3=C(C=NC=C3)C(=O)O)NC4=NC(=NS4)C(F)(F)F

DOS

IR

Vibrations