Geometry & MOs

Info

ID:	45977
PubChem CID:	10519963
Reduced:	N3H17C22 (1)
Stoich.:	A3B17C22 (1)
Weight, g/mol:	323.109233
ΔH_f, kcal/mol:	126.26
Dipole, Da:	1.37
IP(EA), eV:	-8.1(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[(5-ethyl-1H-imidazol-4-yl)methylidene]-9-methylthiopyrano[2,3-b]indol-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CN=C3C4=CC=CC=C4C5=CC=CC=C5C3=N2

DOS

IR

Vibrations