Geometry & MOs

Info

ID:	166231
PubChem CID:	74653542
Reduced:	SO7C20H20 (1)
Stoich.:	AB7C20D20 (1)
Weight, g/mol:	411.131802
ΔH_f, kcal/mol:	-225.75
Dipole, Da:	4.27
IP(EA), eV:	-9.04(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=CC(=O)OC)OC(=O)C2=CC=CC(=C2)CS(=O)(=O)C

DOS

IR

Vibrations