Geometry & MOs

Info

ID:	426954
PubChem CID:	135154695
Reduced:	SN3O3H19C22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	547.267204
ΔH_f, kcal/mol:	-48.01
Dipole, Da:	7.36
IP(EA), eV:	-8.65(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-[[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]phosphoryl]amino]-2-methylpropanoate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)N2C(=NC3=C(C2=O)SC=C3)C4=CC=C(C=C4)NC(=O)C)O

DOS

IR

Vibrations