Geometry & MOs

Info

ID:

187624

PubChem CID:

77598884

Reduced:

ClFO2N5C24H25 (1)

Stoich.:

ABC2D5E24F25 (1)

Weight, g/mol:

534.272787

ΔHf, kcal/mol:

-60.05

Dipole, Da:

4.58

IP(EA), eV:

 -8.97(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

tert-butyl N-[[1-[1-cyclopropyl-6-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,4-dioxo-4aH-quinazolin-7-ylidene]pyrrolidin-1-ium-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

C1CC(NCC1NCC2=NC3=C(C=C2)OCC(=O)N3)CCC4=C5C=C(C=CC5=NC=C4Cl)F

DOS

IR

Vibrations