Geometry & MOs

Info

ID:	182984
PubChem CID:	76966461
Reduced:	OC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	457.053291
ΔH_f, kcal/mol:	-120.56
Dipole, Da:	1.89
IP(EA), eV:	-9.9(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,11R,14R)-6-chloro-3-hydroxy-7,8-dimethoxy-10,14,18-trimethyl-15,16-dithia-10,12,18-triazapentacyclo[12.2.2.01,12.03,11.04,9]octadeca-4,6,8-triene-13,17-dione

Drug info:

PubChemData

Smile

CCCCCCOC(=O)[C@@H](C)/C=C/C

DOS

IR

Vibrations