Geometry & MOs

Info

ID:	153547
PubChem CID:	56312795
Reduced:	BrO3N4H17C23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	431.00516
ΔH_f, kcal/mol:	-8.21
Dipole, Da:	8.94
IP(EA), eV:	-9.19(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C1C2=CC=CC=C2C(=O)N1CC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations