Geometry & MOs

Info

ID:	46764
PubChem CID:	10527105
Reduced:	ClN2O4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	439.919415
ΔH_f, kcal/mol:	-99.37
Dipole, Da:	4.26
IP(EA), eV:	-9.36(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[8-acetyloxy-3,6-bis(chlorosulfonyl)naphthalen-1-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@@H]2CC[C@@H](C2=C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)N1C(=O)OCC

DOS

IR

Vibrations