Geometry & MOs

Info

ID:	145677
PubChem CID:	53569696
Reduced:	OSN5H15C16 (1)
Stoich.:	ABC5D15E16 (1)
Weight, g/mol:	333.088019
ΔH_f, kcal/mol:	58.85
Dipole, Da:	5.39
IP(EA), eV:	-8.49(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamido-2-chlorophenyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)NC2=CC(=NC=C2)SC3=CC=CC=N3

DOS

IR

Vibrations