Geometry & MOs

Info

ID:	16151
PubChem CID:	460263
Reduced:	PSN7O7C14H22 (1)
Stoich.:	ABC7D7E14F22 (1)
Weight, g/mol:	463.103904
ΔH_f, kcal/mol:	-298.33
Dipole, Da:	16.11
IP(EA), eV:	-9.02(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethoxy-[2-(methylamino)-2-oxoethyl]sulfanylphosphoryl]amino]acetate

Drug info:

PubChemData

Smile

CNC(=O)CSP(=O)(NCC(=O)OC)OCCOCN1C=NC2=C1NC(=NC2=O)N

DOS

IR

Vibrations