Geometry & MOs

Info

ID:	336815
PubChem CID:	127255822
Reduced:	BrClHIN2C4 (1)
Stoich.:	ABCDE2F4 (1)
Weight, g/mol:	887.377149
ΔH_f, kcal/mol:	70.64
Dipole, Da:	2.07
IP(EA), eV:	-10.26(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[(2R,3R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-[cyanomethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-4-ethoxyoxolan-2-yl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

C1=C(C(=NC(=N1)Cl)I)Br

DOS

IR

Vibrations