Geometry & MOs

Info

ID:	153852
PubChem CID:	56313179
Reduced:	BrN3O4H18C22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	472.02047
ΔH_f, kcal/mol:	-71.98
Dipole, Da:	6.42
IP(EA), eV:	-9.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br)OC1

DOS

IR

Vibrations