Geometry & MOs

Info

ID:	395782
PubChem CID:	135026521
Reduced:	O7C19H28 (1)
Stoich.:	A7B19C28 (1)
Weight, g/mol:	417.233535
ΔH_f, kcal/mol:	-290.73
Dipole, Da:	5.87
IP(EA), eV:	-9.86(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S)-2-benzyl-3-[(4S)-2-but-3-enyl-1,3-dioxolan-4-yl]-3,6-dihydrooxazin-4-yl]oxy]ethyl-trimethylsilane

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1C[C@H](C2(C[C@@H]3[C@]1(C2=O)C(=O)OC3(C)C)OCOC)OCOC

DOS

IR

Vibrations