Geometry & MOs

Info

ID:	68358
PubChem CID:	46508252
Reduced:	O2S2N3C12H19 (1)
Stoich.:	A2B2C3D12E19 (1)
Weight, g/mol:	446.156575
ΔH_f, kcal/mol:	-82.69
Dipole, Da:	3.91
IP(EA), eV:	-9.41(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)SC1=NC(=C(S1)CC(=O)N)C

DOS

IR

Vibrations