Geometry & MOs

Info

ID:	154277
PubChem CID:	56313687
Reduced:	BrN3O3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	459.98409
ΔH_f, kcal/mol:	-86.14
Dipole, Da:	4.42
IP(EA), eV:	-9.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-5-methyl-4-nitrothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations