Geometry & MOs

Info

ID:	51303
PubChem CID:	12013949
Reduced:	ClNO5H16C20 (1)
Stoich.:	ABC5D16E20 (1)
Weight, g/mol:	335.115758
ΔH_f, kcal/mol:	-109.37
Dipole, Da:	3.25
IP(EA), eV:	-8.79(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,3aR,6aS)-2-phenyl-3a,4,5,6a-tetrahydro-3H-furo[3,2-d][1,2]oxazol-3-yl]chromen-4-one

Drug info:

PubChemData

Smile

COC(=O)[C@H]1C[C@H](N(O1)C2=CC=CC=C2)C3=COC4=C(C3=O)C=C(C=C4)Cl

DOS

IR

Vibrations