Geometry & MOs

Info

ID:	424532
PubChem CID:	135123029
Reduced:	SN3O5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	180.07212
ΔH_f, kcal/mol:	-144.59
Dipole, Da:	3.93
IP(EA), eV:	-8.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-methyl-2,3,4,5-tetrahydropyrido[2,3-f]thiazepine

Drug info:

PubChemData

Smile

CN1CC(C1)COC2=CC(=CC3=C2NC(=O)C34CCCC4)NS(=O)(=O)C5=CC=CC=C5OC

DOS

IR

Vibrations