Geometry & MOs

Info

ID:

232664

PubChem CID:

87576666

Reduced:

SN3O6H29C30 (2)

Stoich.:

AB3C6D29E30 (2)

Weight, g/mol:

348.146537

ΔHf, kcal/mol:

-376.23

Dipole, Da:

17.35

IP(EA), eV:

 -8.13(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-(aminomethyl)-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)C(=C(N2)C=C3C4=C(C=CC(=C4)S(=O)(=O)N5CCC6=CC=CC=C65)NC3=O)CCC(=O)O)C.CC1(CC2=C(C(=O)C1)C(=C(N2)/C=C\3/C4=C(C=CC(=C4)S(=O)(=O)N5CCC6=CC=CC=C65)NC3=O)CCC(=O)O)C

DOS

IR

Vibrations