Geometry & MOs

Info

ID:	361765
PubChem CID:	127304612
Reduced:	SN2O4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-146.6
Dipole, Da:	7.02
IP(EA), eV:	-8.87(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(4-ethoxy-1-phenylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=CC=CC(=C2)CN3CCOCC3

DOS

IR

Vibrations