Geometry & MOs

Info

ID:	218556
PubChem CID:	85089616
Reduced:	ClNF3O5C22H29 (1)
Stoich.:	ABC3D5E22F29 (1)
Weight, g/mol:	479.116936
ΔH_f, kcal/mol:	-383.89
Dipole, Da:	4.85
IP(EA), eV:	-10.05(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[benzenesulfinyl(chloro)methyl]-2-hydroxy-10-methoxy-6-oxo-3,4,10,11-tetrahydro-1H-pyrido[2,1-i]indol-1-yl]acetate

Drug info:

PubChemData

Smile

CC(C(CC(=C)CCl)OC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations