Geometry & MOs

Info

ID:	269482
PubChem CID:	103617678
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	233.108565
ΔH_f, kcal/mol:	-159.73
Dipole, Da:	4.14
IP(EA), eV:	-8.59(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyethoxy)-1-(1,4-thiazepan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COCCOC)NC(=O)C

DOS

IR

Vibrations