Geometry & MOs

Info

ID:	189246
PubChem CID:	77832186
Reduced:	ClSSiN2O4C22H33 (1)
Stoich.:	ABCD2E4F22G33 (1)
Weight, g/mol:	445.262837
ΔH_f, kcal/mol:	-199.27
Dipole, Da:	4.38
IP(EA), eV:	-8.74(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-acetyl-5-fluoro-9a,11a-dimethyl-7-oxo-3,3a,3b,8,9,9b,10,11-octahydro-2H-indeno[4,5-h]isoquinolin-1-yl) hexanoate

Drug info:

PubChemData

Smile

CC(=C(C(=O)OC)N1C(C(C1=O)CCO[Si](C)(C)C(C)(C)C)Cl)SCC2=CC=CC=N2

DOS

IR

Vibrations