Geometry & MOs

Info

ID:	367563
PubChem CID:	127324942
Reduced:	NOC8H14 (2)
Stoich.:	ABC8D14 (2)
Weight, g/mol:	351.150429
ΔH_f, kcal/mol:	-110.19
Dipole, Da:	3.26
IP(EA), eV:	-8.67(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(oxan-4-ylsulfinylmethyl)phenyl]oxane-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N2CCN(CC2)C(=O)C3CCOC3

DOS

IR

Vibrations