Geometry & MOs

Info

ID:	63022
PubChem CID:	26738047
Reduced:	SN2O3C21H32 (1)
Stoich.:	AB2C3D21E32 (1)
Weight, g/mol:	361.193632
ΔH_f, kcal/mol:	-147.24
Dipole, Da:	5.92
IP(EA), eV:	-9.53(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations