Geometry & MOs

Info

ID:	424982
PubChem CID:	135124713
Reduced:	ClN2O3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	699.240364
ΔH_f, kcal/mol:	-155.91
Dipole, Da:	5.19
IP(EA), eV:	-9.67(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2R,3S,4R,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]propyl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)O)CN(C1CCC1)C(=O)CCl

DOS

IR

Vibrations