Geometry & MOs

Info

ID:	413854
PubChem CID:	135086805
Reduced:	ON5H21C26 (1)
Stoich.:	AB5C21D26 (1)
Weight, g/mol:	408.081364
ΔH_f, kcal/mol:	127.19
Dipole, Da:	4.1
IP(EA), eV:	-8.8(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-3-[2-[bis(acetylsulfanyl)methyl]-1H-indol-3-yl]-2-hydroxyiminopropanoate

Drug info:

PubChemData

Smile

CN(CC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)N4C=CC5=CC=CC=C54

DOS

IR

Vibrations