Geometry & MOs

Info

ID:	153958
PubChem CID:	56313313
Reduced:	BrSO2N4H15C22 (1)
Stoich.:	ABC2D4E15F22 (1)
Weight, g/mol:	456.04332
ΔH_f, kcal/mol:	52.63
Dipole, Da:	4.19
IP(EA), eV:	-9.3(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-[(5-bromopyridin-2-yl)carbamoyl]anilino]-3-oxopropyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)/C=C/C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations