Geometry & MOs

Info

ID:	425219
PubChem CID:	135125560
Reduced:	O5C22H22 (1)
Stoich.:	A5B22C22 (1)
Weight, g/mol:	243.067762
ΔH_f, kcal/mol:	-133.11
Dipole, Da:	4.1
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-7-methylsulfonyl-2,4-dihydropyrimido[4,5-d][1,3]oxazine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC=C)C)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC

DOS

IR

Vibrations