Geometry & MOs

Info

ID:	217512
PubChem CID:	85087925
Reduced:	N2O4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	370.12388
ΔH_f, kcal/mol:	-57.91
Dipole, Da:	3.62
IP(EA), eV:	-9.99(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(benzenesulfonyl)-2-methyl-2-phenylmethoxy-8-oxabicyclo[3.2.1]oct-6-ene

Drug info:

PubChemData

Smile

CC(C)C1CC2C(=O)CC3C2(C(C1)N(C3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

DOS

IR

Vibrations