Geometry & MOs

Info

ID:	371099
PubChem CID:	127342501
Reduced:	O3N5C20H35 (1)
Stoich.:	A3B5C20D35 (1)
Weight, g/mol:	271.135448
ΔH_f, kcal/mol:	-157.32
Dipole, Da:	6.32
IP(EA), eV:	-9.05(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methyl-6-oxopiperidin-3-yl)-1,4-thiazepane-4-carboxamide

Drug info:

PubChemData

Smile

CN1CC(CCC1=O)NC(=O)N2CCN(CC2)CC(=O)N(C)C3CCCCC3

DOS

IR

Vibrations