Geometry & MOs

Info

ID:	367033
PubChem CID:	127322965
Reduced:	SN2O4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-133.47
Dipole, Da:	6.98
IP(EA), eV:	-8.9(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CCCOC1=NC(=CC2=CC=CC=C21)C(=O)N3CCCS(=O)(=O)CC3

DOS

IR

Vibrations