Geometry & MOs

Info

ID:	36457
PubChem CID:	8007079
Reduced:	Cl2N3O3H15C19 (1)
Stoich.:	A2B3C3D15E19 (1)
Weight, g/mol:	415.128981
ΔH_f, kcal/mol:	-69.27
Dipole, Da:	7.77
IP(EA), eV:	-9.01(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(3-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(N=C2C=C(C=CC2=N1)C(=O)OCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C

DOS

IR

Vibrations