Geometry & MOs

Info

ID:	274665
PubChem CID:	103810935
Reduced:	SN3O3C12H23 (1)
Stoich.:	AB3C3D12E23 (1)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-140.52
Dipole, Da:	7.31
IP(EA), eV:	-9.18(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)-4-phenylbutan-1-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CN2CCC(CC2)N

DOS

IR

Vibrations