Geometry & MOs

Info

ID:	156372
PubChem CID:	56370316
Reduced:	N3O5C27H31 (1)
Stoich.:	A3B5C27D31 (1)
Weight, g/mol:	433.1001
ΔH_f, kcal/mol:	-134.33
Dipole, Da:	4.12
IP(EA), eV:	-8.11(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-methyl-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=CC=C(O3)COC4=CC=CC=C4OC

DOS

IR

Vibrations