Geometry & MOs

Info

ID:	360546
PubChem CID:	127301191
Reduced:	SN3O3C17H29 (1)
Stoich.:	AB3C3D17E29 (1)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-149.57
Dipole, Da:	2.36
IP(EA), eV:	-8.77(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)CCC(=O)NC3CCSCC3

DOS

IR

Vibrations