Geometry & MOs

Info

ID:	398698
PubChem CID:	135034890
Reduced:	Cl2N2H14C23 (1)
Stoich.:	A2B2C14D23 (1)
Weight, g/mol:	286.105253
ΔH_f, kcal/mol:	94.62
Dipole, Da:	1.99
IP(EA), eV:	-8.63(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6S)-3,12-dihydroxy-4,4,9-trimethyl-5,8,10,13-tetraoxatetracyclo[7.3.1.17,11.01,6]tetradecan-14-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C3=C4C=C(C=CC4=CC(=N3)C5=CC=C(C=C5)Cl)Cl

DOS

IR

Vibrations