Geometry & MOs

Info

ID:	431241
PubChem CID:	135171312
Reduced:	OSN5C21H27 (1)
Stoich.:	ABC5D21E27 (1)
Weight, g/mol:	501.27399
ΔH_f, kcal/mol:	29.83
Dipole, Da:	2.62
IP(EA), eV:	-8.87(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-benzyl-N-[(1R,3S)-3-[(4-cyano-1H-benzimidazole-2-carbonyl)-ethylamino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CCN([C@H]1CCC=C(C1)NCC(=N)SC(=N)C)C(=O)C2=CC3=CC=CC=C3N2

DOS

IR

Vibrations