Geometry & MOs

Info

ID:	234395
PubChem CID:	92298332
Reduced:	BrFN2O3H12C16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-77.87
Dipole, Da:	6.49
IP(EA), eV:	-9.24(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(cyclohexylmethyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

C1=CC2=NC(=CN2C=C1)COC(=O)COC3=C(C=C(C=C3)F)Br

DOS

IR

Vibrations