Geometry & MOs

Info

ID:	216005
PubChem CID:	85085566
Reduced:	SN4C9H14 (1)
Stoich.:	AB4C9D14 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	65.77
Dipole, Da:	6.99
IP(EA), eV:	-8.3(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-but-3-en-2-yl-3,3-dimethyl-7,7a-dihydro-1H-[1,3]oxazolo[3,4-c][1,3]oxazol-5-one

Drug info:

PubChemData

Smile

CC1=C(N=C(N=N1)SC)C=CN(C)C

DOS

IR

Vibrations