Geometry & MOs

Info

ID:	445384
PubChem CID:	135266672
Reduced:	SO2F3N4H25C27 (1)
Stoich.:	AB2C3D4E25F27 (1)
Weight, g/mol:	451.25834
ΔH_f, kcal/mol:	-142.14
Dipole, Da:	5.84
IP(EA), eV:	-9.12(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-1,3-dimethyl-3-[[6-(methylamino)benzimidazol-1-yl]methyl]cyclohexyl]methyl-(5-methoxypyridin-2-yl)carbamic acid

Drug info:

PubChemData

Smile

C1CC(CC(C1)CN(CC2=CSC3=CC=CC=C32)C(=O)O)CN4C5=C(C=CC(=C5)C#N)N=C4C(F)(F)F

DOS

IR

Vibrations