Geometry & MOs

Info

ID:	345836
PubChem CID:	127270136
Reduced:	S2N3O4C16H27 (1)
Stoich.:	A2B3C4D16E27 (1)
Weight, g/mol:	395.224263
ΔH_f, kcal/mol:	-190.55
Dipole, Da:	2.53
IP(EA), eV:	-8.83(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxoazocan-1-yl)-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]acetamide

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)CC(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations