Geometry & MOs

Info

ID:	361821
PubChem CID:	127304727
Reduced:	S2N3O5C15H19 (1)
Stoich.:	A2B3C5D15E19 (1)
Weight, g/mol:	383.097349
ΔH_f, kcal/mol:	-148.73
Dipole, Da:	4.71
IP(EA), eV:	-9.89(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,1-dioxo-1,4-thiazepan-4-yl)-3-oxopropyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(CC(=O)N1CCCS(=O)(=O)CC1)S(=O)(=O)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations