Geometry & MOs

Info

ID:

422702

PubChem CID:

135118273

Reduced:

S2O6N9C36H49 (1)

Stoich.:

A2B6C9D36E49 (1)

Weight, g/mol:

383.152829

ΔHf, kcal/mol:

-168.96

Dipole, Da:

8.48

IP(EA), eV:

 -8.28(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-ethyl-2-morpholin-4-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@H](CN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N1)C)C(C)C)C(=O)C3=CN=CN3C)CC4=CC=CC=C4)CCSC

DOS

IR

Vibrations