Geometry & MOs

Info

ID:	223580
PubChem CID:	85335266
Reduced:	FSO5N6C17H21 (1)
Stoich.:	ABC5D6E17F21 (1)
Weight, g/mol:	442.117461
ΔH_f, kcal/mol:	-141.04
Dipole, Da:	4.31
IP(EA), eV:	-9.5(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1OC2=NC=C(C=C2)S(=O)(=O)NC(CCCN=C(N)N)C(=O)NO)F

DOS

IR

Vibrations