Geometry & MOs

Info

ID:	178026
PubChem CID:	76265775
Reduced:	O4N7C20H31 (1)
Stoich.:	A4B7C20D31 (1)
Weight, g/mol:	461.246061
ΔH_f, kcal/mol:	-129.66
Dipole, Da:	5.58
IP(EA), eV:	-9.3(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methyl-2-morpholin-4-yl-6-oxo-1,3-diazinan-5-yl)-N-[(4-thiomorpholin-4-ylphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C(=O)C(=O)NC4CC4)C

DOS

IR

Vibrations