Geometry & MOs

Info

ID:	309923
PubChem CID:	126567536
Reduced:	P2N10O13C21H26 (1)
Stoich.:	A2B10C13D21E26 (1)
Weight, g/mol:	537.122668
ΔH_f, kcal/mol:	-432.06
Dipole, Da:	17.58
IP(EA), eV:	-8.7(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4S,5R)-4-acetyloxy-5-[6-chloro-2-(2-methylpropanoylamino)purin-9-yl]-3,3-difluorooxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CNC1=C2C(NCN1)N(CN2)C3=C(C4=C(O3)CO[P+](OC5=C(O/C(=C/O[P+](O4)(O)O)/[C@H]5O)N6C=NC7=C6NC(=NC7=O)N)(O)O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CNC1=C2C(NCN1)N(CN2)C3=C(C4=C(O3)CO[P+](OC5=C(O/C(=C/O[P+](O4)(O)O)/[C@H]5O)N6C=NC7=C6NC(=NC7=O)N)(O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):