Geometry & MOs

Info

ID:

214826

PubChem CID:

85083705

Reduced:

CuINOSiZnC23H27 (1)

Stoich.:

ABCDEFG23H27 (1)

Weight, g/mol:

621.227625

ΔHf, kcal/mol:

142.56

Dipole, Da:

3.33

IP(EA), eV:

 -7.51(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[4-[[5-[2-(2,3-difluoroanilino)-2-oxoethyl]pyrazolidin-3-yl]amino]quinazolin-7-yl]oxymethyl]piperidin-1-yl]ethyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCC[C-]=C=C.[C-]#N.[Cu+].[Zn+]I

DOS

IR

Vibrations