Geometry & MOs

Info

ID:	178650
PubChem CID:	76362260
Reduced:	SO3N4C20H28 (1)
Stoich.:	AB3C4D20E28 (1)
Weight, g/mol:	419.187878
ΔH_f, kcal/mol:	-85.67
Dipole, Da:	8.09
IP(EA), eV:	-8.75(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-2-[methyl-[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]amino]acetamide

Drug info:

PubChemData

Smile

CCCCN(CC1NC2C=C(SC2C(=O)N1)C3=CC=C(C=C3)OC)CC(=O)N

DOS

IR

Vibrations