Geometry & MOs

Info

ID:	345681
PubChem CID:	127269981
Reduced:	S2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	266.199428
ΔH_f, kcal/mol:	-75.15
Dipole, Da:	2.99
IP(EA), eV:	-8.67(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)N(C)C(=O)C2=CC=CC(=C2)CN3CCS(=O)(=O)CC3

DOS

IR

Vibrations