Geometry & MOs

Info

ID:	351143
PubChem CID:	127279701
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	279.102606
ΔH_f, kcal/mol:	-58.41
Dipole, Da:	5.52
IP(EA), eV:	-8.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-chloro-4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)C2=CC3=C(S2)CCOC3)C(C)(C)C

DOS

IR

Vibrations