Geometry & MOs

Info

ID:	156294
PubChem CID:	56369996
Reduced:	BrON2F3H14C15 (1)
Stoich.:	ABC2D3E14F15 (1)
Weight, g/mol:	419.03031
ΔH_f, kcal/mol:	-162.87
Dipole, Da:	3.97
IP(EA), eV:	-9.28(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NCC2=CC=C(C=C2)C(F)(F)F)Br

DOS

IR

Vibrations