Geometry & MOs

Info

ID:	353063
PubChem CID:	127284213
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	256.160935
ΔH_f, kcal/mol:	-10.51
Dipole, Da:	5.89
IP(EA), eV:	-8.92(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylpiperidin-2-yl)-(1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)OC(=C2)C(=O)N3CCN(CC3)CC4=CSC(=N4)C(C)(C)C

DOS

IR

Vibrations