Geometry & MOs

Info

ID:

425837

PubChem CID:

135128239

Reduced:

O3S3N10C34H38 (2)

Stoich.:

A3B3C10D34E38 (2)

Weight, g/mol:

407.152829

ΔHf, kcal/mol:

3.73

Dipole, Da:

17.53

IP(EA), eV:

 -8.46(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[(1-pyridin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1(CCC(CC1)NC2=NC(=NC3=C2SC=C3)NC4=CC(=NS4)C(NC5=CN=C(C=C5)C6=CC7=C(S6)C(=NC(=N7)NC8=CC(=NS8)C(=O)NC9=CC=C(C=C9)C1=CC2=C(S1)C(=NC(=N2)NC1=CC(=NS1)C(=O)NC1CCN(CC1)C)NC1CCC(CC1)(C)O)NC1CCC(CC1)(C)O)O)O

DOS

IR

Vibrations