Geometry & MOs

Info

ID:	297784
PubChem CID:	117630707
Reduced:	BrSO2N3C22H22 (1)
Stoich.:	ABC2D3E22F22 (1)
Weight, g/mol:	566.186458
ΔH_f, kcal/mol:	13.35
Dipole, Da:	5.8
IP(EA), eV:	-8.76(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,3S,4S,5S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]-3,5-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C=C1CCCC2C1(C3=C(N2)C=CC(=C3)Br)CCNS(=O)(=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations