Geometry & MOs

Info

ID:	180710
PubChem CID:	76672970
Reduced:	FO5C10H15 (1)
Stoich.:	AB5C10D15 (1)
Weight, g/mol:	473.088178
ΔH_f, kcal/mol:	-289.25
Dipole, Da:	2.24
IP(EA), eV:	-10.71(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(2-oxobenzimidazol-5-yl)amino]-N-[4-(trifluoromethyl)-6H-pyrazolo[3,4-g][1,3]benzothiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CCC1C(C(C(O1)OC(=O)C)F)OC(=O)C

DOS

IR

Vibrations