Geometry & MOs

Info

ID:	392429
PubChem CID:	135016084
Reduced:	NSO4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	299.115758
ΔH_f, kcal/mol:	-109.19
Dipole, Da:	5.16
IP(EA), eV:	-9.38(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-(1-ethyl-2-oxo-3H-indol-3-yl)-3-prop-2-ynoxyprop-2-enoate

Drug info:

PubChemData

Smile

C1C=CC(=O)N([C@H]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3O

DOS

IR

Vibrations