Geometry & MOs

Info

ID:	189365
PubChem CID:	77845155
Reduced:	SeN3O5C25H31 (1)
Stoich.:	AB3C5D25E31 (1)
Weight, g/mol:	471.024693
ΔH_f, kcal/mol:	-151.07
Dipole, Da:	1.68
IP(EA), eV:	-8.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-3-methyl-5-[[7-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-1,2-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N([Se]2)CCC3CCN(CC3)CC4=CC(=CC=C4)NC(=O)OC)OC

DOS

IR

Vibrations