Geometry & MOs

Info

ID:	153548
PubChem CID:	56312796
Reduced:	BrSO2N5H14C17 (1)
Stoich.:	ABC2D5E14F17 (1)
Weight, g/mol:	400.0171
ΔH_f, kcal/mol:	29.89
Dipole, Da:	1.54
IP(EA), eV:	-9.4(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(SN=N1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations