Geometry & MOs

Info

ID:	221716
PubChem CID:	85286070
Reduced:	BrS2O8C26H27 (1)
Stoich.:	AB2C8D26E27 (1)
Weight, g/mol:	611.263151
ΔH_f, kcal/mol:	-276.03
Dipole, Da:	10.51
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]pent-4-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(OC(O2)CC3=CC=CC=C3Br)COS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations