Geometry & MOs

Info

ID:	11400
PubChem CID:	115029
Reduced:	PN5O7C14H18 (1)
Stoich.:	AB5C7D14E18 (1)
Weight, g/mol:	399.094385
ΔH_f, kcal/mol:	-301.18
Dipole, Da:	5.64
IP(EA), eV:	-9.51(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]purin-6-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O

DOS

IR

Vibrations