Geometry & MOs

Info

ID:	153642
PubChem CID:	56312921
Reduced:	BrO2N5C23H26 (1)
Stoich.:	AB2C5D23E26 (1)
Weight, g/mol:	497.98198
ΔH_f, kcal/mol:	-23.46
Dipole, Da:	5.87
IP(EA), eV:	-9.19(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(C)C)C)CC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations