Geometry & MOs

Info

ID:	169935
PubChem CID:	75169374
Reduced:	O30C67H106 (1)
Stoich.:	A30B67C106 (1)
Weight, g/mol:	359.152144
ΔH_f, kcal/mol:	-1433.97
Dipole, Da:	10.0
IP(EA), eV:	-9.49(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-diphenyl-4-phenylmethoxy-1,3-oxazinan-2-one

Drug info:

Smile

CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3OC(=O)C)O)OC4C(C(C(OC4OC(=O)C56CCC(CC5C7=CCC8C(C7(CC6O)C)(CCC9C8(CC(C(C9(C)CO)OC1C(C(C(C(O1)C)O)O)O)O)C)C)(C)C)C)OC(=O)CC(C)OC(=O)C)O)C)O)O)O)O

DOS

IR

Vibrations