Geometry & MOs

Info

ID:

214884

PubChem CID:

85083798

Reduced:

N4O5C37H52 (1)

Stoich.:

A4B5C37D52 (1)

Weight, g/mol:

637.258925

ΔHf, kcal/mol:

-233.51

Dipole, Da:

7.71

IP(EA), eV:

 -9.11(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CN(CC)C(=O)C3CCCCC3)O)N4CCCC4=O

DOS

IR

Vibrations