Geometry & MOs

Info

ID:	361819
PubChem CID:	127304725
Reduced:	SN3O3C15H17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	339.125277
ΔH_f, kcal/mol:	-52.53
Dipole, Da:	5.68
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-oxoethyl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=CC=CC=C2N3C=CC=N3

DOS

IR

Vibrations