Geometry & MOs

Info

ID:

317415

PubChem CID:

126637436

Reduced:

BrClO2N4H16C20 (1)

Stoich.:

ABC2D4E16F20 (1)

Weight, g/mol:

361.175004

ΔHf, kcal/mol:

23.73

Dipole, Da:

2.01

IP(EA), eV:

 -9.14(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[7-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrrolo[2,3-d]pyrimidin-4-yl]-N,N-dimethylmethanimidamide

Drug info:

PubChemData

Smile

C1CC(OC1COC2=CC3=NC=C(C=C3C=C2)Br)N4C=CC5=C4N=CN=C5Cl

DOS

IR

Vibrations