Geometry & MOs

Info

ID:

229968

PubChem CID:

87569738

Reduced:

OCl2N4C20H20 (1)

Stoich.:

AB2C4D20E20 (1)

Weight, g/mol:

661.180263

ΔHf, kcal/mol:

34.33

Dipole, Da:

2.87

IP(EA), eV:

 -8.55(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[[4-[(3-chloro-4-hydroxyphenyl)methoxy]-3-methoxyphenyl]methyl]-6-(1,3-difluoropropan-2-yloxy)-7-fluoro-2,4-dioxoquinazolin-1-yl]piperidine-1-carbaldehyde

Drug info:

PubChemData

Smile

CCC(CC)C1=C2C(=C(C=C1)Cl)N3C(CN=C3N2)C(=O)C4=CN=C(C=C4)Cl

DOS

IR

Vibrations