Geometry & MOs

Info

ID:	55723
PubChem CID:	17396178
Reduced:	OSN5H17C18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	371.177982
ΔH_f, kcal/mol:	78.09
Dipole, Da:	2.64
IP(EA), eV:	-8.82(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylcyclohexyl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C(C)SC2=NNC3=NC4=CC=CC=C4N32

DOS

IR

Vibrations