Geometry & MOs

Info

ID:	359490
PubChem CID:	127298764
Reduced:	SO2N4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	280.160935
ΔH_f, kcal/mol:	-50.73
Dipole, Da:	4.79
IP(EA), eV:	-8.67(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-cyclohex-2-en-1-ylpyrrolidin-2-yl)-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC(C#N)(C1CC1)NC(=O)CN2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations