Geometry & MOs

Info

ID:	403581
PubChem CID:	135060908
Reduced:	NO6H27C30 (1)
Stoich.:	AB6C27D30 (1)
Weight, g/mol:	525.215138
ΔH_f, kcal/mol:	-83.26
Dipole, Da:	4.13
IP(EA), eV:	-9.13(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(2S,4S,5S)-2,5-diethyl-4-phenyl-1,3-dioxolan-4-yl]-2-phenylcyclohexa-1,5-dien-1-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

C[C@H]1[C@](O[C@H](O1)C)(C2=CC(=C(CC2)C3=CC=CC=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

DOS

IR

Vibrations