Geometry & MOs

Info

ID:	349787
PubChem CID:	127276179
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	324.204907
ΔH_f, kcal/mol:	-78.75
Dipole, Da:	5.9
IP(EA), eV:	-9.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-cyclopropyl-2-(oxane-3-carbonylamino)ethyl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)C(=O)N2CSCC2C(=O)NC3=CC=C(C=C3)C#N

DOS

IR

Vibrations