Geometry & MOs

Info

ID:	276723
PubChem CID:	103824806
Reduced:	SO3N5C7H13 (1)
Stoich.:	AB3C5D7E13 (1)
Weight, g/mol:	342.03678
ΔH_f, kcal/mol:	-76.5
Dipole, Da:	3.82
IP(EA), eV:	-10.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CCNS(=O)(=O)CCNC(=O)C1=NC=NN1

DOS

IR

Vibrations