Geometry & MOs

Info

ID:	382332
PubChem CID:	134973414
Reduced:	N2O7C22H30 (1)
Stoich.:	A2B7C22D30 (1)
Weight, g/mol:	322.116486
ΔH_f, kcal/mol:	-293.84
Dipole, Da:	5.59
IP(EA), eV:	-9.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,8aS)-7-(ethylideneamino)-6-nitro-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H](C=C(NC1C2C(COC(O2)C3=CC=CC=C3)O)C(=O)OC(C)(C)C)O

DOS

IR

Vibrations