Geometry & MOs

Info

ID:	154057
PubChem CID:	56313440
Reduced:	BrSO2N3H18C20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	424.05349
ΔH_f, kcal/mol:	-7.73
Dipole, Da:	5.37
IP(EA), eV:	-9.16(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-2,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)C

DOS

IR

Vibrations