Geometry & MOs

Info

ID:	218949
PubChem CID:	85090230
Reduced:	O3C37H42 (1)
Stoich.:	A3B37C42 (1)
Weight, g/mol:	535.142975
ΔH_f, kcal/mol:	-53.78
Dipole, Da:	5.59
IP(EA), eV:	-8.98(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[1-(benzenesulfonyl)-2-(diethoxyphosphorylmethyl)-5-methoxyindol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C#CC5=CC=C(C=C5)C(C)(C)C)O)C6=CC(=CC=C6)OC

DOS

IR

Vibrations