Geometry & MOs

Info

ID:	307542
PubChem CID:	125307426
Reduced:	Cl2O2N3H17C20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	371.155515
ΔH_f, kcal/mol:	24.98
Dipole, Da:	8.17
IP(EA), eV:	-9.54(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl (2R,6R)-3-methyl-4-oxo-6-thiophen-2-yl-2,5,6,7-tetrahydroindole-2-carboxylate

Drug info:

PubChemData

Smile

CCCN1[C@@H](C2=C(C1=O)N=N[C@H]2C3=CC=CC=C3O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations