Geometry & MOs

Info

ID:	156130
PubChem CID:	56369238
Reduced:	BrClO2N3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	423.00524
ΔH_f, kcal/mol:	-27.17
Dipole, Da:	3.06
IP(EA), eV:	-9.45(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=NC=CC(=C1)CNC(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations