Geometry & MOs

Info

ID:	156325
PubChem CID:	56370084
Reduced:	SN2O2F3H13C18 (1)
Stoich.:	AB2C2D3E13F18 (1)
Weight, g/mol:	421.08235
ΔH_f, kcal/mol:	-162.57
Dipole, Da:	4.17
IP(EA), eV:	-9.22(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=CSC(=N2)C3=CC(=CC=C3)C(F)(F)F)O

DOS

IR

Vibrations