Geometry & MOs

Info

ID:	46662
PubChem CID:	10526075
Reduced:	NSH7C13 (2)
Stoich.:	ABC7D13 (2)
Weight, g/mol:	419.148121
ΔH_f, kcal/mol:	247.04
Dipole, Da:	6.88
IP(EA), eV:	-8.81(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,12R)-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-trien-7-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)/C(=C/C2=CC3=C4C(=C3C=C2)C=CC(=C4)/C=C(/C5=CC=CS5)\C#N)/C#N

DOS

IR

Vibrations