Geometry & MOs

Info

ID:	431990
PubChem CID:	135172118
Reduced:	O2F3N5C23H32 (1)
Stoich.:	A2B3C5D23E32 (1)
Weight, g/mol:	512.278741
ΔH_f, kcal/mol:	-207.63
Dipole, Da:	5.07
IP(EA), eV:	-8.64(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[cyclohexyl(2-methylpropyl)amino]-3-[(6-methoxy-1H-benzimidazol-2-yl)amino]phenyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NNC(=N3)C(F)(F)F

DOS

IR

Vibrations