Geometry & MOs

Info

ID:	361810
PubChem CID:	127304716
Reduced:	SN2O4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	306.103814
ΔH_f, kcal/mol:	-170.49
Dipole, Da:	4.13
IP(EA), eV:	-9.59(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-indol-1-ylethanone

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations