Geometry & MOs

Info

ID:	179762
PubChem CID:	76527419
Reduced:	SO3N7C19H27 (1)
Stoich.:	AB3C7D19E27 (1)
Weight, g/mol:	575.153994
ΔH_f, kcal/mol:	-34.42
Dipole, Da:	9.27
IP(EA), eV:	-8.76(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-(4-methoxyphenyl)-6-(4-nitrophenyl)-2-[2-(4-nitrophenyl)ethenyl]-2,6-dihydro-1,3-oxazine-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CN(CC1CCCN1C=O)S(=O)(=O)N2CCN(CC23CC3)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations