Geometry & MOs

Info

ID:	361761
PubChem CID:	127304577
Reduced:	SN2O4C14H24 (1)
Stoich.:	AB2C4D14E24 (1)
Weight, g/mol:	326.049191
ΔH_f, kcal/mol:	-201.49
Dipole, Da:	4.12
IP(EA), eV:	-9.68(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-1H-indol-2-yl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCS(=O)(=O)CC1)NC(=O)C2CCCC2

DOS

IR

Vibrations