Geometry & MOs

Info

ID:	348809
PubChem CID:	127274457
Reduced:	S2N3O4C17H23 (1)
Stoich.:	A2B3C4D17E23 (1)
Weight, g/mol:	350.130028
ΔH_f, kcal/mol:	-153.71
Dipole, Da:	10.81
IP(EA), eV:	-8.4(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCSCC2)NC(=O)CN3CCCS3(=O)=O

DOS

IR

Vibrations