Geometry & MOs

Info

ID:	127712
PubChem CID:	51012608
Reduced:	N2O9C18H26 (1)
Stoich.:	A2B9C18D26 (1)
Weight, g/mol:	258.044757
ΔH_f, kcal/mol:	-384.53
Dipole, Da:	2.55
IP(EA), eV:	-9.69(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,11R,12S)-15-chlorotetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene-3,10-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@H]2[C@H](O[C@H](C1)O2)C(=O)N3C[C@H]4[C@H](O[C@@H](C3)O4)C(=O)OC

DOS

IR

Vibrations