Geometry & MOs

Info

ID:	360927
PubChem CID:	127301758
Reduced:	N2S2O4C13H18 (1)
Stoich.:	A2B2C4D13E18 (1)
Weight, g/mol:	349.109627
ΔH_f, kcal/mol:	-147.18
Dipole, Da:	3.46
IP(EA), eV:	-9.55(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CCNC(=O)C2=CC=CS2

DOS

IR

Vibrations