Geometry & MOs

Info

ID:	48578
PubChem CID:	11108704
Reduced:	SN3H13C16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	99.92
Dipole, Da:	3.91
IP(EA), eV:	-8.76(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-6-tert-butyl-5-methoxy-6-methyl-3,3-bis(prop-2-enyl)-1,4-oxazin-2-one

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N=C1C(=S)NC3=CC=CC=C3

DOS

IR

Vibrations