Geometry & MOs

Info

ID:	320531
PubChem CID:	126661602
Reduced:	NOS2C26H29 (1)
Stoich.:	ABC2D26E29 (1)
Weight, g/mol:	281.098669
ΔH_f, kcal/mol:	18.43
Dipole, Da:	3.27
IP(EA), eV:	-9.09(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-benzylsulfanyl-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethenamine

Drug info:

PubChemData

Smile

C=C1CCCC12CCC(CC2)C3=CC=CC=C3CC(=O)C4CSC(=N4)C5=CC=CS5

DOS

IR

Vibrations