Geometry & MOs

Info

ID:	360942
PubChem CID:	127301773
Reduced:	NS2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	382.192629
ΔH_f, kcal/mol:	-109.17
Dipole, Da:	4.17
IP(EA), eV:	-9.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,1-dioxo-1,4-thiazepan-4-yl)-3-oxopropyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations