Geometry & MOs

Info

ID:	308051
PubChem CID:	125316755
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	291.99597
ΔH_f, kcal/mol:	-6.61
Dipole, Da:	4.74
IP(EA), eV:	-8.5(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[(Z)-3H-pyrrol-2-ylmethylideneamino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C([C@H](N1)C)NC(=S)N(C2=O)CC3=CC=CO3

DOS

IR

Vibrations