Geometry & MOs

Info

ID:	426912
PubChem CID:	135154526
Reduced:	PO4N7C27H42 (1)
Stoich.:	AB4C7D27E42 (1)
Weight, g/mol:	585.244024
ΔH_f, kcal/mol:	-181.76
Dipole, Da:	2.84
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-[[1-(6-aminopurin-9-yl)propan-2-yloxymethyl-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]phosphoryl]amino]-2-methylpropanoate

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

CCCOC(=O)C(C)(C)NP(=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)N(C)CC3=CC=C(C=C3)C(C)C

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

CCCOC(=O)C(C)(C)NP(=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)N(C)CC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):