Geometry & MOs

Info

ID:	425448
PubChem CID:	135126369
Reduced:	SF2O3N6C24H26 (1)
Stoich.:	AB2C3D6E24F26 (1)
Weight, g/mol:	500.157244
ΔH_f, kcal/mol:	-93.24
Dipole, Da:	9.28
IP(EA), eV:	-9.23(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-3-[2-[1-(1-methylpyrazol-4-yl)benzimidazol-5-yl]ethynyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(C(=NC(CS1(=O)=O)(C)C2=C(C=CC(=C2)C=C(C3=CN=C(C=N3)OCCN4C=CN=C4)F)F)N)C

DOS

IR

Vibrations