Geometry & MOs

Info

ID:	56421
PubChem CID:	17425409
Reduced:	SN2O3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	378.051065
ΔH_f, kcal/mol:	-49.71
Dipole, Da:	4.42
IP(EA), eV:	-8.67(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)COC2=CC=CC3=CC=CC=C32)C(=O)C

DOS

IR

Vibrations