Geometry & MOs

Info

ID:	278064
PubChem CID:	103833101
Reduced:	SN2O3C13H18 (1)
Stoich.:	AB2C3D13E18 (1)
Weight, g/mol:	262.135114
ΔH_f, kcal/mol:	-115.19
Dipole, Da:	6.13
IP(EA), eV:	-8.45(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)-3-methylpentan-1-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CC2=CC=CC=C2N

DOS

IR

Vibrations