Geometry & MOs

Info

ID:	431272
PubChem CID:	135171343
Reduced:	SN2O2F3H19C20 (1)
Stoich.:	AB2C2D3E19F20 (1)
Weight, g/mol:	411.22704
ΔH_f, kcal/mol:	-172.66
Dipole, Da:	4.83
IP(EA), eV:	-8.9(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,3S)-3-[(6-cyano-1H-benzimidazole-2-carbonyl)-ethylamino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)N2C(=C(C=N2)C3=CC=C(C=C3)C)C

DOS

IR

Vibrations