Geometry & MOs

Info

ID:	234273
PubChem CID:	92298074
Reduced:	O4N5H15C17 (1)
Stoich.:	A4B5C15D17 (1)
Weight, g/mol:	377.126323
ΔH_f, kcal/mol:	-87.49
Dipole, Da:	6.99
IP(EA), eV:	-8.87(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,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

CN1C2=C(C(=O)N(C1=O)C)N3CC[C@@H]4N(C3=N2)C(=O)C5=CC=CC=C5O4

DOS

IR

Vibrations