Geometry & MOs

Info

ID:	360940
PubChem CID:	127301771
Reduced:	SO3N4C17H24 (1)
Stoich.:	AB3C4D17E24 (1)
Weight, g/mol:	382.192629
ΔH_f, kcal/mol:	-89.83
Dipole, Da:	2.32
IP(EA), eV:	-9.01(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-N-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN2C(=C(C(=NC2=C1)C)CCC(=O)N3CCCS(=O)(=O)CC3)C

DOS

IR

Vibrations