Geometry & MOs

Info

ID:	349345
PubChem CID:	127275132
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	318.161329
ΔH_f, kcal/mol:	-13.11
Dipole, Da:	2.9
IP(EA), eV:	-9.01(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1,4-oxazepan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(C)C2=NN=C(O2)C3=CC=CS3

DOS

IR

Vibrations