Geometry & MOs

Info

ID:	191195
PubChem CID:	78116417
Reduced:	NSO5H21C23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	755.277012
ΔH_f, kcal/mol:	-105.87
Dipole, Da:	7.91
IP(EA), eV:	-8.83(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[[chloro-(4-pyrrolidin-1-ylpiperidin-1-yl)phosphoryl]oxymethyl]-4-tritylmorpholin-2-yl]-5-methyl-1,3-diazinane-2,4-dione;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC2=C3C(=CC=C2)S(=O)(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations