Geometry & MOs

Info

ID:	154055
PubChem CID:	56313431
Reduced:	BrSO2N6H15C21 (1)
Stoich.:	ABC2D6E15F21 (1)
Weight, g/mol:	482.03898
ΔH_f, kcal/mol:	65.79
Dipole, Da:	3.48
IP(EA), eV:	-9.26(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=NC=CC=N2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations