Geometry & MOs

Info

ID:	435161
PubChem CID:	135182795
Reduced:	N2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	700.205983
ΔH_f, kcal/mol:	9.73
Dipole, Da:	3.46
IP(EA), eV:	-8.54(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[(2R,3R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy]-2-[[4-[(2-methoxybenzoyl)amino]phenyl]methyl]propanedioate

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)CC(C)(C)C)NC=N2

DOS

IR

Vibrations