Geometry & MOs

Info

ID:	431961
PubChem CID:	135172089
Reduced:	SO2F3N4C21H27 (1)
Stoich.:	AB2C3D4E21F27 (1)
Weight, g/mol:	433.236542
ΔH_f, kcal/mol:	-181.8
Dipole, Da:	11.8
IP(EA), eV:	-9.09(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-(1,3-benzoxazol-2-ylamino)-4-[cyclohexyl(2-methylpropyl)amino]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C2CC2C(=O)O)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations