Geometry & MOs

Info

ID:	352810
PubChem CID:	127283899
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	353.213698
ΔH_f, kcal/mol:	-45.44
Dipole, Da:	10.6
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3)C(=O)N5CCSCC5

DOS

IR

Vibrations