Geometry & MOs

Info

ID:	361798
PubChem CID:	127304645
Reduced:	SO3N4C14H18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	387.182792
ΔH_f, kcal/mol:	-68.91
Dipole, Da:	4.05
IP(EA), eV:	-9.37(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC2=NNC(=C2C(=C1)C(=O)N3CCCS(=O)(=O)CC3)C

DOS

IR

Vibrations