Geometry & MOs

Info

ID:	128002
PubChem CID:	51026132
Reduced:	Cl2N2O3C18H18 (1)
Stoich.:	A2B2C3D18E18 (1)
Weight, g/mol:	468.32396
ΔH_f, kcal/mol:	-124.86
Dipole, Da:	8.17
IP(EA), eV:	-9.02(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6S,18S)-6,10,10,14,15,21,21-heptamethyl-3,24-dioxaheptacyclo[16.5.2.01,15.02,4.05,14.06,11.018,23]pentacosane-9,25-dione

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@@H]1[C@@H]3[C@@H]2C(=O)N(C3=O)CCC(=O)NC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations