Geometry & MOs

Info

ID:	154278
PubChem CID:	56313688
Reduced:	BrSN4O4H13C18 (1)
Stoich.:	ABC4D4E13F18 (1)
Weight, g/mol:	463.05315
ΔH_f, kcal/mol:	2.22
Dipole, Da:	4.31
IP(EA), eV:	-9.41(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

DOS

IR

Vibrations