Geometry & MOs

Info

ID:	431866
PubChem CID:	135171987
Reduced:	SO2F3N5C23H32 (1)
Stoich.:	AB2C3D5E23F32 (1)
Weight, g/mol:	456.252526
ΔH_f, kcal/mol:	-198.31
Dipole, Da:	5.83
IP(EA), eV:	-8.93(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(1H-benzimidazol-2-ylamino)-4-[bis(2-methylpropyl)amino]phenyl]benzoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCNCC2)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations