Geometry & MOs

Info

ID:

336907

PubChem CID:

127255914

Reduced:

N3O14C24H25 (1)

Stoich.:

A3B14C24D25 (1)

Weight, g/mol:

362.243024

ΔHf, kcal/mol:

-457.33

Dipole, Da:

3.08

IP(EA), eV:

 -10.09(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(3R)-1-[2-amino-6-(cyclopropylmethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC2=C(C=C(C=C2)COC(=O)N3C=CN=C3)[N+](=O)[O-])C(=O)OC)OC(=O)C

DOS

IR

Vibrations