Geometry & MOs

Info

ID:	276801
PubChem CID:	103825292
Reduced:	ClSO2N3C12H18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	316.07864
ΔH_f, kcal/mol:	-72.76
Dipole, Da:	2.48
IP(EA), eV:	-9.01(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-ethyl-N-(4-hydroxy-2,2-dimethylbutyl)pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CCO)CNC(=O)C1=NC(=NC=C1Cl)SC

DOS

IR

Vibrations