Geometry & MOs

Info

ID:	219374
PubChem CID:	85148333
Reduced:	NPO8C22H40 (1)
Stoich.:	ABC8D22E40 (1)
Weight, g/mol:	477.160994
ΔH_f, kcal/mol:	-485.76
Dipole, Da:	5.0
IP(EA), eV:	-9.47(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-benzyl-6-(2-phenylethenyl)-3-thiophen-2-yloxazinane-4,4-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1C2CCC(CC2CCN1C(=O)OC(C)(C)C)COP(=O)(OCC)OCC

DOS

IR

Vibrations