Geometry & MOs

Info

ID:	368118
PubChem CID:	127327582
Reduced:	SN3O4C18H33 (1)
Stoich.:	AB3C4D18E33 (1)
Weight, g/mol:	359.187878
ΔH_f, kcal/mol:	-196.81
Dipole, Da:	3.04
IP(EA), eV:	-9.42(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[(4-morpholin-4-yl-1,1-dioxothiolan-3-yl)amino]ethanone

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NC(=O)CNC2CS(=O)(=O)CC2N3CCOCC3

DOS

IR

Vibrations