Geometry & MOs

Info

ID:	242635
PubChem CID:	97857655
Reduced:	ON2F3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	404.197904
ΔH_f, kcal/mol:	-244.94
Dipole, Da:	3.74
IP(EA), eV:	-9.72(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S)-N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-2-(6-chloro-1H-benzimidazol-2-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C[C@H](C(F)(F)F)NC(=O)N1CCCC1

DOS

IR

Vibrations