Geometry & MOs

Info

ID:	219067
PubChem CID:	85090431
Reduced:	FN3O4C32H36 (1)
Stoich.:	AB3C4D32E36 (1)
Weight, g/mol:	546.109687
ΔH_f, kcal/mol:	-162.35
Dipole, Da:	5.92
IP(EA), eV:	-9.05(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[1-(benzenesulfonyl)-2-[2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]indol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(=O)CCC(=O)NCC2CN(C(=O)O2)C3=CC(=C(C=C3)N(C)CC4=CC=CC=C4)F

DOS

IR

Vibrations