Geometry & MOs

Info

ID:

82608

PubChem CID:

49856239

Reduced:

O2C21H26 (1)

Stoich.:

A2B21C26 (1)

Weight, g/mol:

580.215189

ΔHf, kcal/mol:

-45.4

Dipole, Da:

4.21

IP(EA), eV:

 -9.84(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-6-[5-[(4-methyl-4-oxo-1,4lambda5-azaphosphinan-1-yl)methyl]furan-2-yl]quinazolin-4-amine

Drug info:

PubChemData

Smile

C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3C4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6C5=O)C

DOS

IR

Vibrations