Geometry & MOs

Info

ID:	334627
PubChem CID:	127253302
Reduced:	SN5O6C39H47 (1)
Stoich.:	AB5C6D39E47 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-143.04
Dipole, Da:	13.31
IP(EA), eV:	-8.31(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(1-methylindole-5-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N[C@@H](CCSC)C(=O)N4CCCCC4C5=NC6=CC=CC=C6N5C)OC)OC)OC

DOS

IR

Vibrations