Geometry & MOs

Info

ID:	154905
PubChem CID:	56314454
Reduced:	BrO3N4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	415.99426
ΔH_f, kcal/mol:	-27.66
Dipole, Da:	4.14
IP(EA), eV:	-8.74(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations