Geometry & MOs

Info

ID:	217685
PubChem CID:	85088218
Reduced:	NO4H23C24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	389.129694
ΔH_f, kcal/mol:	-88.95
Dipole, Da:	6.08
IP(EA), eV:	-9.25(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-phenyl-3-thiophen-2-yloxazinane-4,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations