Geometry & MOs

Info

ID:	155883
PubChem CID:	56368101
Reduced:	SN4O4C19H30 (1)
Stoich.:	AB4C4D19E30 (1)
Weight, g/mol:	470.05897
ΔH_f, kcal/mol:	-172.69
Dipole, Da:	4.81
IP(EA), eV:	-9.68(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[3-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]carbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N1CCC(CC1)C(=O)NCCC(=O)NCC2=CC=NC=C2

DOS

IR

Vibrations