Geometry & MOs

Info

ID:	146928
PubChem CID:	53773993
Reduced:	SN2O6C25H32 (1)
Stoich.:	AB2C6D25E32 (1)
Weight, g/mol:	462.04002
ΔH_f, kcal/mol:	-230.97
Dipole, Da:	4.38
IP(EA), eV:	-8.87(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodo-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)CCOCC(=O)OC)C)S(=O)(=O)N=C(C3=CC=CC=C3)N)C

DOS

IR

Vibrations