Geometry & MOs

Info

ID:	349779
PubChem CID:	127276171
Reduced:	O2N3S3C17H25 (1)
Stoich.:	A2B3C3D17E25 (1)
Weight, g/mol:	226.131742
ΔH_f, kcal/mol:	-77.55
Dipole, Da:	2.53
IP(EA), eV:	-8.72(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxopiperidin-3-yl)oxane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CSCC2C(=O)N3CCSCC3

DOS

IR

Vibrations