Geometry & MOs

Info

ID:	154282
PubChem CID:	56313693
Reduced:	BrO2N5H16C22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	484.07462
ΔH_f, kcal/mol:	60.92
Dipole, Da:	7.53
IP(EA), eV:	-9.21(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-[(5-bromopyridin-2-yl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)N3C=CC=N3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations