Geometry & MOs

Info

ID:

448221

PubChem CID:

135289374

Reduced:

SO2N6H26C30 (1)

Stoich.:

AB2C6D26E30 (1)

Weight, g/mol:

329.185175

ΔHf, kcal/mol:

95.82

Dipole, Da:

14.02

IP(EA), eV:

 -8.51(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (4aR,6R,7aR)-6-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1=CN=CC(=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CN=C5C6=CC=C(S6)C(=O)C

DOS

IR

Vibrations