Geometry & MOs

Info

ID:	154907
PubChem CID:	56314456
Reduced:	BrO3N6H17C22 (1)
Stoich.:	AB3C6D17E22 (1)
Weight, g/mol:	482.00482
ΔH_f, kcal/mol:	40.45
Dipole, Da:	5.11
IP(EA), eV:	-9.28(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CCC2=NC(=NO2)C3=CN=CC=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations