Geometry & MOs

Info

ID:	153351
PubChem CID:	56312536
Reduced:	BrO2N6H19C22 (1)
Stoich.:	AB2C6D19E22 (1)
Weight, g/mol:	483.96633
ΔH_f, kcal/mol:	37.44
Dipole, Da:	3.77
IP(EA), eV:	-9.32(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations