Geometry & MOs

Info

ID:	345850
PubChem CID:	127270150
Reduced:	SN3O3C18H29 (1)
Stoich.:	AB3C3D18E29 (1)
Weight, g/mol:	388.168145
ΔH_f, kcal/mol:	-160.62
Dipole, Da:	9.28
IP(EA), eV:	-8.96(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCCC1C(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations