Geometry & MOs

Info

ID:	234274
PubChem CID:	92298076
Reduced:	NO5H19C22 (1)
Stoich.:	AB5C19D22 (1)
Weight, g/mol:	377.126323
ΔH_f, kcal/mol:	-105.51
Dipole, Da:	2.95
IP(EA), eV:	-9.18(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4aS,8aS)-7-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]-2-phenyl-4a,8a-dihydro-4H-pyrano[3,2-d][1,3]dioxin-6-one

Drug info:

PubChemData

Smile

C1[C@H]2[C@H](C=C(C(=O)O2)N/C=C/C(=O)C3=CC=CC=C3)O[C@@H](O1)C4=CC=CC=C4

DOS

IR

Vibrations