Geometry & MOs

Info

ID:

185695

PubChem CID:

77334217

Reduced:

Si2O7C44H70 (1)

Stoich.:

A2B7C44D70 (1)

Weight, g/mol:

521.220909

ΔHf, kcal/mol:

-304.61

Dipole, Da:

14.3

IP(EA), eV:

 -6.51(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[[5-carbamoyl-4-[4-(1,3-thiazol-4-yl)anilino]pyrimidin-2-yl]amino]-1-methylcyclohex-2-en-1-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C(=O)OC1CC(C=C2C1C(C(C=C2)C)(CCC3CC(C(C(=O)O3)O[Si](C)C)C(C)(C)C)O[Si](C)C)C(C)(C)C)OC4=CC=CC=C4C(C)(C)C

DOS

IR

Vibrations