Geometry & MOs

Info

ID:	360921
PubChem CID:	127301742
Reduced:	NS2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	366.124943
ΔH_f, kcal/mol:	-107.76
Dipole, Da:	4.15
IP(EA), eV:	-8.65(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(1,1-dioxo-1,4-thiazepan-4-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2CC3=CC=CC=C3S2

DOS

IR

Vibrations