Geometry & MOs

Info

ID:	122050
PubChem CID:	50791013
Reduced:	SN3O3H27C28 (1)
Stoich.:	AB3C3D27E28 (1)
Weight, g/mol:	443.224263
ΔH_f, kcal/mol:	-32.0
Dipole, Da:	5.8
IP(EA), eV:	-8.35(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopentyl-10-methyl-3-oxo-N-(3-propan-2-yloxypropyl)-5H-[1,4]thiazepino[7,6-b]indole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1SCC(=O)N(C3C(=O)NCC4=CC=CC=C4)CC5=CC=C(C=C5)OC

DOS

IR

Vibrations