Geometry & MOs

Info

ID:	345208
PubChem CID:	127268968
Reduced:	SO3N4C16H26 (1)
Stoich.:	AB3C4D16E26 (1)
Weight, g/mol:	337.146013
ΔH_f, kcal/mol:	-105.14
Dipole, Da:	4.67
IP(EA), eV:	-9.03(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC(=O)CSCC2=NOC(=N2)C(C)(C)C

DOS

IR

Vibrations